[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine

C14H20BrNO2 — CID 117499488

IUPAC[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(C2(CN)CCCC2)c(OC)c1Br
InChIInChI=1S/C14H20BrNO2/c1-17-11-6-5-10(13(18-2)12(11)15)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyDYWKDMBURQWQPU-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.24
Rot. Bonds4

About [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine

[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine (PubChem CID 117499488) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
PubChem CID117499488
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
SMILESCOc1ccc(C2(CN)CCCC2)c(OC)c1Br
InChIInChI=1S/C14H20BrNO2/c1-17-11-6-5-10(13(18-2)12(11)15)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyDYWKDMBURQWQPU-UHFFFAOYSA-N
XLogP3.24
TPSA44.48 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-bromo-2,4-dimethoxyphenyl)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

6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine (CID 117499488) is [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine is COc1ccc(C2(CN)CCCC2)c(OC)c1Br.
What is the InChIKey of [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine?
The InChIKey is DYWKDMBURQWQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-11-6-5-10(13(18-2)12(11)15)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3.
What are the key properties of [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine?
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine has a molecular weight of 314.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117499488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).