[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine

C15H22BrNO — CID 117497424

IUPAC[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
SMILESCOc1c(C)cc(Br)c(C2(CN)CCCC2)c1C
InChIInChI=1S/C15H22BrNO/c1-10-8-12(16)13(11(2)14(10)18-3)15(9-17)6-4-5-7-15/h8H,4-7,9,17H2,1-3H3
InChIKeyDCSRUJLTGBPZHS-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.85
Rot. Bonds3

About [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine

[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine (PubChem CID 117497424) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
PubChem CID117497424
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
SMILESCOc1c(C)cc(Br)c(C2(CN)CCCC2)c1C
InChIInChI=1S/C15H22BrNO/c1-10-8-12(16)13(11(2)14(10)18-3)15(9-17)6-4-5-7-15/h8H,4-7,9,17H2,1-3H3
InChIKeyDCSRUJLTGBPZHS-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]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

[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine
CID 117113313
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
CID 117499500
3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol
CID 117428377
[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117489148
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine (CID 117497424) is [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine is COc1c(C)cc(Br)c(C2(CN)CCCC2)c1C.
What is the InChIKey of [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine?
The InChIKey is DCSRUJLTGBPZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-8-12(16)13(11(2)14(10)18-3)15(9-17)6-4-5-7-15/h8H,4-7,9,17H2,1-3H3.
What are the key properties of [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine?
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine has a molecular weight of 312.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117497424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).