[2-(1-methylazepan-4-yl)phenyl]methanamine

C14H22N2 — CID 83836854

IUPAC[2-(1-methylazepan-4-yl)phenyl]methanamine
SMILESCN1CCCC(c2ccccc2CN)CC1
InChIInChI=1S/C14H22N2/c1-16-9-4-6-12(8-10-16)14-7-3-2-5-13(14)11-15/h2-3,5,7,12H,4,6,8-11,15H2,1H3
InChIKeyGBKXENRZOSOMCI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.34
Rot. Bonds2

About [2-(1-methylazepan-4-yl)phenyl]methanamine

[2-(1-methylazepan-4-yl)phenyl]methanamine (PubChem CID 83836854) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [2-(1-methylazepan-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1-methylazepan-4-yl)phenyl]methanamine
PubChem CID83836854
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[2-(1-methylazepan-4-yl)phenyl]methanamine
SMILESCN1CCCC(c2ccccc2CN)CC1
InChIInChI=1S/C14H22N2/c1-16-9-4-6-12(8-10-16)14-7-3-2-5-13(14)11-15/h2-3,5,7,12H,4,6,8-11,15H2,1H3
InChIKeyGBKXENRZOSOMCI-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(1-methylazepan-4-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[2-(1-methylazepan-4-yl)phenyl]ethanamine
CID 117369000
4-[2-(2-fluoroethyl)phenyl]-1-methylpiperidine
CID 58103875
4-[2-(1-methylazepan-4-yl)phenyl]butanoic acid
CID 117440756
3-[2-(1-methylazepan-4-yl)phenyl]butan-1-amine
CID 117405841
3-amino-1-[2-(1-methylazepan-4-yl)phenyl]propan-1-one
CID 117405758
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852
1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117365849
4-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]phenol
CID 12542639
3-[2-(1-methylazepan-4-yl)phenyl]butanal
CID 117402999
[2-(1-methylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine
CID 117136291
ethyl 2-hydroxy-2-[2-(1-methylazepan-4-yl)phenyl]acetate
CID 117470740
1-methyl-4-[2-(1-methylazepan-4-yl)phenyl]pyrazol-5-amine
CID 117458050

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylazepan-4-yl)phenyl]methanamine?
The IUPAC name of [2-(1-methylazepan-4-yl)phenyl]methanamine (CID 83836854) is [2-(1-methylazepan-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(1-methylazepan-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(1-methylazepan-4-yl)phenyl]methanamine is CN1CCCC(c2ccccc2CN)CC1.
What is the InChIKey of [2-(1-methylazepan-4-yl)phenyl]methanamine?
The InChIKey is GBKXENRZOSOMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16-9-4-6-12(8-10-16)14-7-3-2-5-13(14)11-15/h2-3,5,7,12H,4,6,8-11,15H2,1H3.
What are the key properties of [2-(1-methylazepan-4-yl)phenyl]methanamine?
[2-(1-methylazepan-4-yl)phenyl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylazepan-4-yl)phenyl]methanamine is sourced from PubChem (CID 83836854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).