1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

C16H22F3NO — CID 63453620

IUPAC1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCC1CCCCC1CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-12-4-2-3-5-14(12)11-20-10-13-6-8-15(9-7-13)21-16(17,18)19/h6-9,12,14,20H,2-5,10-11H2,1H3
InChIKeyNHLKOQRFCGYAPN-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.50
Rot. Bonds5

About 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 63453620) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID63453620
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCC1CCCCC1CNCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-12-4-2-3-5-14(12)11-20-10-13-6-8-15(9-7-13)21-16(17,18)19/h6-9,12,14,20H,2-5,10-11H2,1H3
InChIKeyNHLKOQRFCGYAPN-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
N-[(4-fluorophenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416779
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453619
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107416889
2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43434136
1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43081448
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60707293
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (CID 63453620) is 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is CC1CCCCC1CNCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is NHLKOQRFCGYAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-12-4-2-3-5-14(12)11-20-10-13-6-8-15(9-7-13)21-16(17,18)19/h6-9,12,14,20H,2-5,10-11H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 301.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 63453620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).