1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine

C16H26N2 — CID 64569172

IUPAC1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CN(C)CC1CCCCCN1
InChIInChI=1S/C16H26N2/c1-14-8-5-6-9-15(14)12-18(2)13-16-10-4-3-7-11-17-16/h5-6,8-9,16-17H,3-4,7,10-13H2,1-2H3
InChIKeyOYDDONPSTJYVJC-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.96
Rot. Bonds4

About 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine

1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 64569172) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
PubChem CID64569172
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CN(C)CC1CCCCCN1
InChIInChI=1S/C16H26N2/c1-14-8-5-6-9-15(14)12-18(2)13-16-10-4-3-7-11-17-16/h5-6,8-9,16-17H,3-4,7,10-13H2,1-2H3
InChIKeyOYDDONPSTJYVJC-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622977
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 114430836
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine
CID 64570164
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
1-[[methyl(piperidin-2-ylmethyl)amino]methyl]naphthalen-2-ol
CID 106622937
N-(isoquinolin-4-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602512
N-methyl-N-[(1-methylindol-3-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106602546
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine (CID 64569172) is 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine is Cc1ccccc1CN(C)CC1CCCCCN1.
What is the InChIKey of 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is OYDDONPSTJYVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-8-5-6-9-15(14)12-18(2)13-16-10-4-3-7-11-17-16/h5-6,8-9,16-17H,3-4,7,10-13H2,1-2H3.
What are the key properties of 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine?
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 64569172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).