2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol

C13H18ClNO2 — CID 117392957

IUPAC2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
SMILESCOc1cc(C2(CN)CCCC2)c(O)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-17-12-6-9(11(16)7-10(12)14)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3
InChIKeyDXGLIPURPCXCCI-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.82
Rot. Bonds3

About 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol

2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol (PubChem CID 117392957) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
PubChem CID117392957
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
SMILESCOc1cc(C2(CN)CCCC2)c(O)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-17-12-6-9(11(16)7-10(12)14)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3
InChIKeyDXGLIPURPCXCCI-UHFFFAOYSA-N
XLogP2.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol 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-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
CID 117432605
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol
CID 117452768
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol (CID 117392957) is 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol is COc1cc(C2(CN)CCCC2)c(O)cc1Cl.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol?
The InChIKey is DXGLIPURPCXCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-12-6-9(11(16)7-10(12)14)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol?
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol has a molecular weight of 255.74 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol is sourced from PubChem (CID 117392957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).