1-[(2-chlorophenyl)methyl]azepane

C13H18ClN — CID 17017924

IUPAC1-[(2-chlorophenyl)methyl]azepane
SMILESClc1ccccc1CN1CCCCCC1
InChIInChI=1S/C13H18ClN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2
InChIKeyGIJULRCQOLCUPU-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.72
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]azepane

1-[(2-chlorophenyl)methyl]azepane (PubChem CID 17017924) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]azepane.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]azepane
PubChem CID17017924
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-[(2-chlorophenyl)methyl]azepane
SMILESClc1ccccc1CN1CCCCCC1
InChIInChI=1S/C13H18ClN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2
InChIKeyGIJULRCQOLCUPU-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2-chlorophenyl)methyl]azepane 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-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 86923546
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
(9aS)-2-[(2-chlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738363
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]azepane?
The IUPAC name of 1-[(2-chlorophenyl)methyl]azepane (CID 17017924) is 1-[(2-chlorophenyl)methyl]azepane.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]azepane?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]azepane is Clc1ccccc1CN1CCCCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]azepane?
The InChIKey is GIJULRCQOLCUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]azepane?
1-[(2-chlorophenyl)methyl]azepane has a molecular weight of 223.75 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]azepane is sourced from PubChem (CID 17017924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).