[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine

C13H17ClFN — CID 84801366

IUPAC[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
SMILESCc1ccc(Cl)c(F)c1C1(CN)CCCC1
InChIInChI=1S/C13H17ClFN/c1-9-4-5-10(14)12(15)11(9)13(8-16)6-2-3-7-13/h4-5H,2-3,6-8,16H2,1H3
InChIKeyJCTMERBUQNPRNZ-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.56
Rot. Bonds2

About [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine

[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine (PubChem CID 84801366) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
PubChem CID84801366
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
SMILESCc1ccc(Cl)c(F)c1C1(CN)CCCC1
InChIInChI=1S/C13H17ClFN/c1-9-4-5-10(14)12(15)11(9)13(8-16)6-2-3-7-13/h4-5H,2-3,6-8,16H2,1H3
InChIKeyJCTMERBUQNPRNZ-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 117304722
2-[1-(aminomethyl)cyclohexyl]-4-chloro-3-fluorophenol
CID 117397913
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine
CID 117446810
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
CID 84800201

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine (CID 84801366) is [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine is Cc1ccc(Cl)c(F)c1C1(CN)CCCC1.
What is the InChIKey of [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine?
The InChIKey is JCTMERBUQNPRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9-4-5-10(14)12(15)11(9)13(8-16)6-2-3-7-13/h4-5H,2-3,6-8,16H2,1H3.
What are the key properties of [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine?
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine has a molecular weight of 241.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 84801366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).