[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine

C15H23ClN2 — CID 65283852

IUPAC[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
SMILESCC1(C)CCCN(c2cccc(Cl)c2CN)CC1
InChIInChI=1S/C15H23ClN2/c1-15(2)7-4-9-18(10-8-15)14-6-3-5-13(16)12(14)11-17/h3,5-6H,4,7-11,17H2,1-2H3
InChIKeyVUXVEEXSWXBXKR-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.82
Rot. Bonds2

About [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine

[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine (PubChem CID 65283852) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
PubChem CID65283852
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
SMILESCC1(C)CCCN(c2cccc(Cl)c2CN)CC1
InChIInChI=1S/C15H23ClN2/c1-15(2)7-4-9-18(10-8-15)14-6-3-5-13(16)12(14)11-17/h3,5-6H,4,7-11,17H2,1-2H3
InChIKeyVUXVEEXSWXBXKR-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-chloro-6-(4,4-dimethylazepan-1-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

2-[2-chloro-6-(4,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 55236775
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 114879651
[2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 43581765
[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]methanamine
CID 62091270
[2-chloro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742908
3-chloro-2-(4,4-dimethylazepan-1-yl)benzoic acid
CID 114067335
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
CID 117111225
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
[1-(2-chloro-6-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 117112223
[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 43122244

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine (CID 65283852) is [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine is CC1(C)CCCN(c2cccc(Cl)c2CN)CC1.
What is the InChIKey of [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine?
The InChIKey is VUXVEEXSWXBXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(2)7-4-9-18(10-8-15)14-6-3-5-13(16)12(14)11-17/h3,5-6H,4,7-11,17H2,1-2H3.
What are the key properties of [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine?
[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine has a molecular weight of 266.82 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine is sourced from PubChem (CID 65283852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).