2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine

C14H20BrNO2 — CID 103523805

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H20BrNO2/c1-16-11-6-4-5-9(11)10-7-8-12(17-2)13(15)14(10)18-3/h7-9,11,16H,4-6H2,1-3H3
InChIKeyASAWGKWBZQKTDX-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.32
Rot. Bonds4

About 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine

2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine (PubChem CID 103523805) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine
PubChem CID103523805
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H20BrNO2/c1-16-11-6-4-5-9(11)10-7-8-12(17-2)13(15)14(10)18-3/h7-9,11,16H,4-6H2,1-3H3
InChIKeyASAWGKWBZQKTDX-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine 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-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
CID 103523809
1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 103524175
1-(3-bromo-2,4-dimethoxyphenyl)-2-chlorocycloheptane
CID 103523791
2-(5-fluoro-2-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82782828
2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine
CID 103434249
2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82811854
3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene
CID 103523936
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
N-methyl-2-(2,3,4-trifluorophenyl)cyclopentan-1-amine
CID 62965835

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine (CID 103523805) is 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine is CNC1CCCC1c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine?
The InChIKey is ASAWGKWBZQKTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16-11-6-4-5-9(11)10-7-8-12(17-2)13(15)14(10)18-3/h7-9,11,16H,4-6H2,1-3H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine?
2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 103523805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).