1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

C16H22F3N — CID 63455912

IUPAC1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCC1CCCCC1CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-12-6-2-3-7-13(12)10-20-11-14-8-4-5-9-15(14)16(17,18)19/h4-5,8-9,12-13,20H,2-3,6-7,10-11H2,1H3
InChIKeyKFSPSLZCZCCALL-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.62
Rot. Bonds4

About 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine

1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 63455912) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID63455912
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCC1CCCCC1CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-12-6-2-3-7-13(12)10-20-11-14-8-4-5-9-15(14)16(17,18)19/h4-5,8-9,12-13,20H,2-3,6-7,10-11H2,1H3
InChIKeyKFSPSLZCZCCALL-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453619
4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106124800
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 114017972
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 104791705
1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 162544005
3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
CID 107417630
N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 80701390
4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol
CID 55013705
1-(oxolan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60921002

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (CID 63455912) is 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is CC1CCCCC1CNCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is KFSPSLZCZCCALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-12-6-2-3-7-13(12)10-20-11-14-8-4-5-9-15(14)16(17,18)19/h4-5,8-9,12-13,20H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 63455912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).