2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine

C19H28FN — CID 79696981

IUPAC2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(F)cc(C2(N)CCCCC2C2CCCCC2)c1
InChIInChI=1S/C19H28FN/c1-14-11-16(13-17(20)12-14)19(21)10-6-5-9-18(19)15-7-3-2-4-8-15/h11-13,15,18H,2-10,21H2,1H3
InChIKeyCJOSTTGQYSIOIM-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.06
Rot. Bonds2

About 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine

2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine (PubChem CID 79696981) has the molecular formula C19H28FN and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine
PubChem CID79696981
Molecular FormulaC19H28FN
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC Name2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(F)cc(C2(N)CCCCC2C2CCCCC2)c1
InChIInChI=1S/C19H28FN/c1-14-11-16(13-17(20)12-14)19(21)10-6-5-9-18(19)15-7-3-2-4-8-15/h11-13,15,18H,2-10,21H2,1H3
InChIKeyCJOSTTGQYSIOIM-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine (CID 79696981) is 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine is Cc1cc(F)cc(C2(N)CCCCC2C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine?
The InChIKey is CJOSTTGQYSIOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN/c1-14-11-16(13-17(20)12-14)19(21)10-6-5-9-18(19)15-7-3-2-4-8-15/h11-13,15,18H,2-10,21H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine?
2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-fluoro-5-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 79696981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).