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

C14H20FNO — CID 117347431

IUPAC[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
SMILESCOc1c(F)ccc(C)c1C1(CN)CCCC1
InChIInChI=1S/C14H20FNO/c1-10-5-6-11(15)13(17-2)12(10)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyWRYBPNBVSMLWDN-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.91
Rot. Bonds3

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

[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine (PubChem CID 117347431) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
PubChem CID117347431
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
SMILESCOc1c(F)ccc(C)c1C1(CN)CCCC1
InChIInChI=1S/C14H20FNO/c1-10-5-6-11(15)13(17-2)12(10)14(9-16)7-3-4-8-14/h5-6H,3-4,7-9,16H2,1-2H3
InChIKeyWRYBPNBVSMLWDN-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-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]cyclobutyl]methanamine
CID 117426610
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117371901
[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine (CID 117347431) is [1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine is COc1c(F)ccc(C)c1C1(CN)CCCC1.
What is the InChIKey of [1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine?
The InChIKey is WRYBPNBVSMLWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-6-11(15)13(17-2)12(10)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-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine?
[1-(3-fluoro-2-methoxy-6-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-2-methoxy-6-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117347431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).