CAS
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Specification
The molecular formula is C12H19NO.
The molecular weight is 193.28 g/mol.
The IUPAC name is [2-(3-methylbutoxy)phenyl]methanamine.
The InChI is InChI=1S/C12H19NO/c1-10(2)7-8-14-12-6-4-3-5-11(12)9-13/h3-6,10H,7-9,13H2,1-2H3.
The InChIKey is VFGAFGJOOSZYOJ-UHFFFAOYSA-N.
The canonical SMILES is CC(C)CCOC1=CC=CC=C1CN.
The XLogP3-AA value is 2.4.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.
It has 5 rotatable bond counts.