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

C16H22F3NO — CID 104987916

IUPACN-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccc(OC(F)(F)F)cc1)C1CCC(C)CC1
InChIInChI=1S/C16H22F3NO/c1-11-3-5-12(6-4-11)15(20-2)13-7-9-14(10-8-13)21-16(17,18)19/h7-12,15,20H,3-6H2,1-2H3
InChIKeyZGYQPLARXNEUJM-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.67
Rot. Bonds4

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

N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 104987916) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID104987916
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccc(OC(F)(F)F)cc1)C1CCC(C)CC1
InChIInChI=1S/C16H22F3NO/c1-11-3-5-12(6-4-11)15(20-2)13-7-9-14(10-8-13)21-16(17,18)19/h7-12,15,20H,3-6H2,1-2H3
InChIKeyZGYQPLARXNEUJM-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylcyclohexyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 104988082
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988173
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
1-[hydroperoxy-[4-(4-methylcyclohexyl)cyclohexyl]methyl]-4-(trifluoromethoxy)benzene;molecular hydrogen
CID 161210259
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 52626231
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988080
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 112804442
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115856447
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990940

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 104987916) is N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine is CNC(c1ccc(OC(F)(F)F)cc1)C1CCC(C)CC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is ZGYQPLARXNEUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11-3-5-12(6-4-11)15(20-2)13-7-9-14(10-8-13)21-16(17,18)19/h7-12,15,20H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 301.35 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 104987916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).