N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

C17H17ClF3N — CID 13478469

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCN(CCc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF3N/c1-22(12-14-5-7-16(18)8-6-14)10-9-13-3-2-4-15(11-13)17(19,20)21/h2-8,11H,9-10,12H2,1H3
InChIKeyFPIUDJHYAGOTHZ-UHFFFAOYSA-N
MW327.78 g/mol
LogP5.03
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 13478469) has the molecular formula C17H17ClF3N and a molecular weight of 327.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID13478469
Molecular FormulaC17H17ClF3N
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCN(CCc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClF3N/c1-22(12-14-5-7-16(18)8-6-14)10-9-13-3-2-4-15(11-13)17(19,20)21/h2-8,11H,9-10,12H2,1H3
InChIKeyFPIUDJHYAGOTHZ-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.78
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
5-chloro-2-[cyano(methyl)amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87542931
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
N-[[4-(3H-benzimidazol-5-yloxy)phenyl]methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 87305518
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
2-amino-5-bromo-N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 68699008
N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 167073264
1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
CID 2803725
3-aminopropyl-[2-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid;hydrochloride
CID 66611801

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 13478469) is N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is CN(CCc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FPIUDJHYAGOTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N/c1-22(12-14-5-7-16(18)8-6-14)10-9-13-3-2-4-15(11-13)17(19,20)21/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 327.78 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 13478469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).