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

C13H18FN — CID 105460948

IUPAC1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(C(F)C2(N)CCCC2)c1
InChIInChI=1S/C13H18FN/c1-10-5-4-6-11(9-10)12(14)13(15)7-2-3-8-13/h4-6,9,12H,2-3,7-8,15H2,1H3
InChIKeyIAWHTHXALNXFHW-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.28
Rot. Bonds2

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

1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 105460948) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID105460948
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(C(F)C2(N)CCCC2)c1
InChIInChI=1S/C13H18FN/c1-10-5-4-6-11(9-10)12(14)13(15)7-2-3-8-13/h4-6,9,12H,2-3,7-8,15H2,1H3
InChIKeyIAWHTHXALNXFHW-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[fluoro(phenyl)methyl]cyclohexan-1-amine
CID 105460950
1-methyl-3-(1,2,2-trifluoroethyl)benzene
CID 147922323
1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine
CID 116961273
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
N-methyl-1-(1-methylcyclopentyl)-1-(3-methylphenyl)methanamine
CID 115790477
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
1-[fluoro(phenyl)methyl]-3-methylbenzene
CID 54364294
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylphenyl)methanamine
CID 106829804

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine (CID 105460948) is 1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine is Cc1cccc(C(F)C2(N)CCCC2)c1.
What is the InChIKey of 1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is IAWHTHXALNXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-5-4-6-11(9-10)12(14)13(15)7-2-3-8-13/h4-6,9,12H,2-3,7-8,15H2,1H3.
What are the key properties of 1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine?
1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 105460948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).