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

C13H18FN — CID 23289263

IUPAC1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(C2(N)CCCCC2)ccc1F
InChIInChI=1S/C13H18FN/c1-10-9-11(5-6-12(10)14)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyQBTJFVAAOJOFJS-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.25
Rot. Bonds1

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

1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine (PubChem CID 23289263) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
PubChem CID23289263
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(C2(N)CCCCC2)ccc1F
InChIInChI=1S/C13H18FN/c1-10-9-11(5-6-12(10)14)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyQBTJFVAAOJOFJS-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086228
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine (CID 23289263) is 1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine is Cc1cc(C2(N)CCCCC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine?
The InChIKey is QBTJFVAAOJOFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-9-11(5-6-12(10)14)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine?
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 23289263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).