1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine

C15H21F2N — CID 113328694

IUPAC1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)c1cccc(CNCC2CCCCC2)c1
InChIInChI=1S/C15H21F2N/c16-15(17)14-8-4-7-13(9-14)11-18-10-12-5-2-1-3-6-12/h4,7-9,12,15,18H,1-3,5-6,10-11H2
InChIKeyGZEVBJOKRFBWMZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.29
Rot. Bonds5

About 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine

1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine (PubChem CID 113328694) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
PubChem CID113328694
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)c1cccc(CNCC2CCCCC2)c1
InChIInChI=1S/C15H21F2N/c16-15(17)14-8-4-7-13(9-14)11-18-10-12-5-2-1-3-6-12/h4,7-9,12,15,18H,1-3,5-6,10-11H2
InChIKeyGZEVBJOKRFBWMZ-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964098
2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 115526586
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
2-[[[3-(difluoromethyl)phenyl]methylamino]methyl]cyclopentane-1-carboxylic acid
CID 115529683
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid
CID 68520941
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115526581
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
CID 107470447

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine (CID 113328694) is 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine is FC(F)c1cccc(CNCC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine?
The InChIKey is GZEVBJOKRFBWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c16-15(17)14-8-4-7-13(9-14)11-18-10-12-5-2-1-3-6-12/h4,7-9,12,15,18H,1-3,5-6,10-11H2.
What are the key properties of 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine?
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 113328694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).