[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine

C14H20FNO — CID 117347260

IUPAC[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CCCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-7-11(8-12(15)13(10)17-2)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyQJRDSKWJLVOGPU-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.91
Rot. Bonds3

About [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine

[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine (PubChem CID 117347260) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
PubChem CID117347260
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CCCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-7-11(8-12(15)13(10)17-2)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyQJRDSKWJLVOGPU-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid
CID 117421579
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117408710
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxybenzoic acid
CID 117385602
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 117372025

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine (CID 117347260) is [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine is COc1c(C)cc(C2(CN)CCCC2)cc1F.
What is the InChIKey of [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine?
The InChIKey is QJRDSKWJLVOGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-7-11(8-12(15)13(10)17-2)14(9-16)5-3-4-6-14/h7-8H,3-6,9,16H2,1-2H3.
What are the key properties of [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine?
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117347260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).