1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine

C14H20FN — CID 107128227

IUPAC1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
SMILESCc1ccc(C2(N)CCCC(C)C2)cc1F
InChIInChI=1S/C14H20FN/c1-10-4-3-7-14(16,9-10)12-6-5-11(2)13(15)8-12/h5-6,8,10H,3-4,7,9,16H2,1-2H3
InChIKeyVNNGYEITUMFLKS-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.50
Rot. Bonds1

About 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine

1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine (PubChem CID 107128227) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
PubChem CID107128227
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
SMILESCc1ccc(C2(N)CCCC(C)C2)cc1F
InChIInChI=1S/C14H20FN/c1-10-4-3-7-14(16,9-10)12-6-5-11(2)13(15)8-12/h5-6,8,10H,3-4,7,9,16H2,1-2H3
InChIKeyVNNGYEITUMFLKS-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 106880613
trans-(1S,3R)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259850
1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 107512504
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine
CID 107512496
2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene
CID 161365130
1-(3-fluoro-4-methylphenyl)-2,3-dimethylcyclohexan-1-ol
CID 107128067
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine
CID 64595065
2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane
CID 142010079

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine (CID 107128227) is 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine is Cc1ccc(C2(N)CCCC(C)C2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine?
The InChIKey is VNNGYEITUMFLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-4-3-7-14(16,9-10)12-6-5-11(2)13(15)8-12/h5-6,8,10H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine?
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 107128227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).