[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine

C15H22FN — CID 114349747

IUPAC[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
SMILESCc1cc(F)ccc1CC1(CN)CCC(C)C1
InChIInChI=1S/C15H22FN/c1-11-5-6-15(8-11,10-17)9-13-3-4-14(16)7-12(13)2/h3-4,7,11H,5-6,8-10,17H2,1-2H3
InChIKeyOXALHNJDPMYEIS-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.44
Rot. Bonds3

About [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine

[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine (PubChem CID 114349747) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
PubChem CID114349747
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine
SMILESCc1cc(F)ccc1CC1(CN)CCC(C)C1
InChIInChI=1S/C15H22FN/c1-11-5-6-15(8-11,10-17)9-13-3-4-14(16)7-12(13)2/h3-4,7,11H,5-6,8-10,17H2,1-2H3
InChIKeyOXALHNJDPMYEIS-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentyl]methanamine
CID 65401068
[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 114349742
1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 114346880
[2-[(4-fluoro-2-methylphenyl)methyl]-1,3-dihydroinden-2-yl]methanamine
CID 114349751
[3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentyl]methanamine
CID 65403094
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350504
[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 114349753
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylcyclopentyl]methanamine
CID 66361314
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873
3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
CID 114346957
[1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 102621042
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine (CID 114349747) is [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine is Cc1cc(F)ccc1CC1(CN)CCC(C)C1.
What is the InChIKey of [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine?
The InChIKey is OXALHNJDPMYEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-5-6-15(8-11,10-17)9-13-3-4-14(16)7-12(13)2/h3-4,7,11H,5-6,8-10,17H2,1-2H3.
What are the key properties of [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine?
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 114349747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).