4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol

C13H18ClNO — CID 84800194

IUPAC4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
SMILESCc1cc(C2(CN)CCCC2)cc(Cl)c1O
InChIInChI=1S/C13H18ClNO/c1-9-6-10(7-11(14)12(9)16)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3
InChIKeyGRFYFUQGNCQGFX-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.12
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol

4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol (PubChem CID 84800194) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
PubChem CID84800194
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
SMILESCc1cc(C2(CN)CCCC2)cc(Cl)c1O
InChIInChI=1S/C13H18ClNO/c1-9-6-10(7-11(14)12(9)16)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3
InChIKeyGRFYFUQGNCQGFX-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol?
The IUPAC name of 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol (CID 84800194) is 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol is Cc1cc(C2(CN)CCCC2)cc(Cl)c1O.
What is the InChIKey of 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol?
The InChIKey is GRFYFUQGNCQGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-6-10(7-11(14)12(9)16)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3.
What are the key properties of 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol?
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol has a molecular weight of 239.75 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol is sourced from PubChem (CID 84800194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).