N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline

C16H22F3NO — CID 64752121

IUPACN-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline
SMILESCOc1ccc(NC2CC(C)CC(C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-10-6-11(2)8-12(7-10)20-15-5-4-13(21-3)9-14(15)16(17,18)19/h4-5,9-12,20H,6-8H2,1-3H3
InChIKeyLVJLTZWCZIGJGD-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.95
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline

N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline (PubChem CID 64752121) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline
PubChem CID64752121
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline
SMILESCOc1ccc(NC2CC(C)CC(C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-10-6-11(2)8-12(7-10)20-15-5-4-13(21-3)9-14(15)16(17,18)19/h4-5,9-12,20H,6-8H2,1-3H3
InChIKeyLVJLTZWCZIGJGD-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 64760800
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
2-bromo-5-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860257
N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 43678119
2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 103388027
2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870482
N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 64501837
methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64752605
N-[4-methoxy-2-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378337
N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518457
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline (CID 64752121) is N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline is COc1ccc(NC2CC(C)CC(C)C2)c(C(F)(F)F)c1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline?
The InChIKey is LVJLTZWCZIGJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-10-6-11(2)8-12(7-10)20-15-5-4-13(21-3)9-14(15)16(17,18)19/h4-5,9-12,20H,6-8H2,1-3H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline?
N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline has a molecular weight of 301.35 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline is sourced from PubChem (CID 64752121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).