1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine

C16H25ClN2 — CID 114851678

IUPAC1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
SMILESCCC1CCCN(c2ccc(Cl)cc2CNC)CC1
InChIInChI=1S/C16H25ClN2/c1-3-13-5-4-9-19(10-8-13)16-7-6-15(17)11-14(16)12-18-2/h6-7,11,13,18H,3-5,8-10,12H2,1-2H3
InChIKeyOLLTVGSPIGIWKH-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.08
Rot. Bonds4

About 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine

1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine (PubChem CID 114851678) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
PubChem CID114851678
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
SMILESCCC1CCCN(c2ccc(Cl)cc2CNC)CC1
InChIInChI=1S/C16H25ClN2/c1-3-13-5-4-9-19(10-8-13)16-7-6-15(17)11-14(16)12-18-2/h6-7,11,13,18H,3-5,8-10,12H2,1-2H3
InChIKeyOLLTVGSPIGIWKH-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine 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-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
N-[[5-chloro-2-(3-ethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114848465
5-chloro-2-(4-ethylazepan-1-yl)benzaldehyde
CID 114844366
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848840
1-[5-chloro-2-(4,4-dimethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851889
1-[5-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]-N-methylmethanamine
CID 114852856
N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide
CID 114853385
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
1-[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926597
1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 113418178
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chlorophenyl]-N-methylmethanamine
CID 102727327

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine (CID 114851678) is 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine is CCC1CCCN(c2ccc(Cl)cc2CNC)CC1.
What is the InChIKey of 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is OLLTVGSPIGIWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-13-5-4-9-19(10-8-13)16-7-6-15(17)11-14(16)12-18-2/h6-7,11,13,18H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine?
1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 280.84 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114851678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).