4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine

C13H17F2N — CID 115034996

IUPAC4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine
SMILESCC1(F)CCC(N)(c2ccccc2F)CC1
InChIInChI=1S/C13H17F2N/c1-12(15)6-8-13(16,9-7-12)10-4-2-3-5-11(10)14/h2-5H,6-9,16H2,1H3
InChIKeyQYOBFDOBVLIFHM-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.28
Rot. Bonds1

About 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine

4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine (PubChem CID 115034996) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine
PubChem CID115034996
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine
SMILESCC1(F)CCC(N)(c2ccccc2F)CC1
InChIInChI=1S/C13H17F2N/c1-12(15)6-8-13(16,9-7-12)10-4-2-3-5-11(10)14/h2-5H,6-9,16H2,1H3
InChIKeyQYOBFDOBVLIFHM-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 117287337
1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 84736108
3-amino-3-(2-fluorophenyl)cyclopentan-1-one
CID 115019349
4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride
CID 131637935
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine
CID 84726857
5-(2-fluorophenyl)-5-methylpyrrolidin-2-one
CID 105446893
1-[2-(fluoromethyl)phenyl]cyclopropan-1-amine
CID 84764934
(1R)-1-(2-fluorophenyl)-3,3-dimethylcyclopentan-1-ol
CID 124512737
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946
1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549
1-[4-(2-fluorophenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129257642

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine (CID 115034996) is 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine is CC1(F)CCC(N)(c2ccccc2F)CC1.
What is the InChIKey of 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine?
The InChIKey is QYOBFDOBVLIFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-12(15)6-8-13(16,9-7-12)10-4-2-3-5-11(10)14/h2-5H,6-9,16H2,1H3.
What are the key properties of 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine?
4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 115034996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).