N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C15H19ClF3NO — CID 60957296

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCOc1ccc(Cl)cc1CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-21-14-7-6-11(16)8-10(14)9-20-13-5-3-2-4-12(13)15(17,18)19/h6-8,12-13,20H,2-5,9H2,1H3
InChIKeyOHCGTZOHQPJAMU-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.56
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 60957296) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID60957296
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCOc1ccc(Cl)cc1CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-21-14-7-6-11(16)8-10(14)9-20-13-5-3-2-4-12(13)15(17,18)19/h6-8,12-13,20H,2-5,9H2,1H3
InChIKeyOHCGTZOHQPJAMU-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124859758
N-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958335
5-chloro-2-methoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 25497376
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61263630
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride
CID 18533782
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105140994
N-[(5-chloro-2-methoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63922112
N-[(4-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62134250
N-[(2-bromo-5-chlorophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 66160658
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 60957296) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is COc1ccc(Cl)cc1CNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OHCGTZOHQPJAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-21-14-7-6-11(16)8-10(14)9-20-13-5-3-2-4-12(13)15(17,18)19/h6-8,12-13,20H,2-5,9H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 321.77 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 60957296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).