1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

C15H19ClF3N — CID 105106692

IUPAC1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1cccc(Cl)c1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19ClF3N/c1-20-14(11-3-2-4-13(16)9-11)10-5-7-12(8-6-10)15(17,18)19/h2-4,9-10,12,14,20H,5-8H2,1H3
InChIKeyYGUHUASPQRBDQM-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.97
Rot. Bonds3

About 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105106692) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105106692
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1cccc(Cl)c1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19ClF3N/c1-20-14(11-3-2-4-13(16)9-11)10-5-7-12(8-6-10)15(17,18)19/h2-4,9-10,12,14,20H,5-8H2,1H3
InChIKeyYGUHUASPQRBDQM-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 65390440
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105154131
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
N-methyl-4-[methylamino-(3-methylphenyl)methyl]cyclohexan-1-amine
CID 116952360
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162186
N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148778
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105106692) is 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1cccc(Cl)c1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is YGUHUASPQRBDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N/c1-20-14(11-3-2-4-13(16)9-11)10-5-7-12(8-6-10)15(17,18)19/h2-4,9-10,12,14,20H,5-8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 305.77 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105106692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).