3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline

C15H19ClF3N — CID 116699074

IUPAC3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
SMILESCC1CCC(CNc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19ClF3N/c1-10-2-4-11(5-3-10)9-20-14-7-12(15(17,18)19)6-13(16)8-14/h6-8,10-11,20H,2-5,9H2,1H3
InChIKeyMUECAPASMCYMAE-UHFFFAOYSA-N
MW305.77 g/mol
LogP5.60
Rot. Bonds3

About 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline

3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 116699074) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
PubChem CID116699074
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
SMILESCC1CCC(CNc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19ClF3N/c1-10-2-4-11(5-3-10)9-20-14-7-12(15(17,18)19)6-13(16)8-14/h6-8,10-11,20H,2-5,9H2,1H3
InChIKeyMUECAPASMCYMAE-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.77
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-Chloro-P-tolyl)-4-methylbenzylamine
CID 292905
N-(4-Chlorophenyl)-4-methylbenzylamine
CID 292568
N-(3,5-dichlorophenyl)-N-(2-fluorobenzyl)amine
CID 834546
(3-Chloro-4-fluoro-phenyl)-(2-fluoro-benzyl)-amine
CID 834562
N-[3-chloro-5-(trifluoromethyl)phenyl]-2,4,6-trimethylaniline
CID 127043193
4-Chloro-N-(2-fluorobenzyl)aniline
CID 834588
N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 18778388
N-benzyl-3-chloroaniline
CID 11506782
N-(5-Chloro-M-tolyl)-hexadecylamine
CID 4177228
1-(3-Chloro-5-(trifluoromethyl)phenyl)piperazine
CID 22345195
4-Chloro-N-methyl-3-(trifluoromethyl)benzenamine
CID 23558986
3-Chloro-N2-methyl-5-(trifluoromethyl)-1,2-benzenediamine
CID 68091067

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline (CID 116699074) is 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline is CC1CCC(CNc2cc(Cl)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is MUECAPASMCYMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N/c1-10-2-4-11(5-3-10)9-20-14-7-12(15(17,18)19)6-13(16)8-14/h6-8,10-11,20H,2-5,9H2,1H3.
What are the key properties of 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline?
3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 305.77 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116699074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).