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

C16H22F3NO — CID 63453619

IUPAC1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCC1CCCCC1CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-12-6-2-3-7-13(12)10-20-11-14-8-4-5-9-15(14)21-16(17,18)19/h4-5,8-9,12-13,20H,2-3,6-7,10-11H2,1H3
InChIKeyGEOMORZNGUNECR-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.50
Rot. Bonds5

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

1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 63453619) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID63453619
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCC1CCCCC1CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-12-6-2-3-7-13(12)10-20-11-14-8-4-5-9-15(14)21-16(17,18)19/h4-5,8-9,12-13,20H,2-3,6-7,10-11H2,1H3
InChIKeyGEOMORZNGUNECR-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

N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 104791705
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620
1-(thian-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 80594996
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 106008246
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232
1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 63932476

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine (CID 63453619) is 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine is CC1CCCCC1CNCc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is GEOMORZNGUNECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-12-6-2-3-7-13(12)10-20-11-14-8-4-5-9-15(14)21-16(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-(trifluoromethoxy)phenyl]methyl]methanamine?
1-(2-methylcyclohexyl)-N-[[2-(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-[[2-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 63453619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).