2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine

C15H24N2 — CID 16787615

IUPAC2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CN1CCCCCC1
InChIInChI=1S/C15H24N2/c1-13-8-4-5-9-14(13)15(16)12-17-10-6-2-3-7-11-17/h4-5,8-9,15H,2-3,6-7,10-12,16H2,1H3
InChIKeyNMRUGRCQSQYGFI-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.87
Rot. Bonds3

About 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine

2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine (PubChem CID 16787615) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
PubChem CID16787615
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CN1CCCCCC1
InChIInChI=1S/C15H24N2/c1-13-8-4-5-9-14(13)15(16)12-17-10-6-2-3-7-11-17/h4-5,8-9,15H,2-3,6-7,10-12,16H2,1H3
InChIKeyNMRUGRCQSQYGFI-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine 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

1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
2-[1-amino-2-(azepan-1-yl)ethyl]phenol
CID 117243601
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 43584428
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine
CID 115559657
ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine
CID 143114244
2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 82295585
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 16795154
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
3-(azepan-1-yl)-2-(2-methylphenyl)propanoic acid
CID 117244237
2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 130699391
1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289885

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine (CID 16787615) is 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine?
The InChIKey is NMRUGRCQSQYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-8-4-5-9-14(13)15(16)12-17-10-6-2-3-7-11-17/h4-5,8-9,15H,2-3,6-7,10-12,16H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine?
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 16787615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).