4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine

C16H23F2N — CID 116992553

IUPAC4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine
SMILESCCC(F)(F)c1cccc(C2CCC(NC)CC2)c1
InChIInChI=1S/C16H23F2N/c1-3-16(17,18)14-6-4-5-13(11-14)12-7-9-15(19-2)10-8-12/h4-6,11-12,15,19H,3,7-10H2,1-2H3
InChIKeySRPKWQMHGIZCNY-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.43
Rot. Bonds4

About 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine

4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine (PubChem CID 116992553) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine
PubChem CID116992553
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine
SMILESCCC(F)(F)c1cccc(C2CCC(NC)CC2)c1
InChIInChI=1S/C16H23F2N/c1-3-16(17,18)14-6-4-5-13(11-14)12-7-9-15(19-2)10-8-12/h4-6,11-12,15,19H,3,7-10H2,1-2H3
InChIKeySRPKWQMHGIZCNY-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-(3-cyclopropylphenyl)-2-methylpropan-1-amine
CID 155943933
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
(1R,2R,4R)-1-N,1-N,2-N-trimethyl-4-[3-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 134459131
N-methyl-4-naphthalen-2-ylcyclohexan-1-amine
CID 116962734
1-tert-butyl-3-[(3-cyclopropylphenyl)-difluoromethyl]-2-fluorobenzene
CID 177124857
N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 62595704
3-cyclopropyl-N-(trifluoromethyl)aniline
CID 172726656
N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine
CID 163372499

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine (CID 116992553) is 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine is CCC(F)(F)c1cccc(C2CCC(NC)CC2)c1.
What is the InChIKey of 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine?
The InChIKey is SRPKWQMHGIZCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-3-16(17,18)14-6-4-5-13(11-14)12-7-9-15(19-2)10-8-12/h4-6,11-12,15,19H,3,7-10H2,1-2H3.
What are the key properties of 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine?
4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine has a molecular weight of 267.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116992553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).