3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine

C13H18FN — CID 112565666

IUPAC3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CC2(F)CCC(N)C2)c1
InChIInChI=1S/C13H18FN/c1-10-3-2-4-11(7-10)8-13(14)6-5-12(15)9-13/h2-4,7,12H,5-6,8-9,15H2,1H3
InChIKeyIWTXOQBCRRQLEB-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.76
Rot. Bonds2

About 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine

3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 112565666) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID112565666
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CC2(F)CCC(N)C2)c1
InChIInChI=1S/C13H18FN/c1-10-3-2-4-11(7-10)8-13(14)6-5-12(15)9-13/h2-4,7,12H,5-6,8-9,15H2,1H3
InChIKeyIWTXOQBCRRQLEB-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-amino-1-fluorocyclopentyl)methyl]-3-methylaniline
CID 105479500
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
4-[(3,4-dimethylphenyl)methyl]-4-fluorocyclohexan-1-amine
CID 112562344
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64733945
3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine
CID 112565613
3-[(2-chloro-4-methylphenyl)methyl]-3-fluorocyclohexan-1-amine
CID 106871133
2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 79333753
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430142
4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
CID 112567457
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine (CID 112565666) is 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine is Cc1cccc(CC2(F)CCC(N)C2)c1.
What is the InChIKey of 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is IWTXOQBCRRQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-3-2-4-11(7-10)8-13(14)6-5-12(15)9-13/h2-4,7,12H,5-6,8-9,15H2,1H3.
What are the key properties of 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine?
3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(3-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 112565666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).