2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine

C16H15ClF3N — CID 61078717

IUPAC2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15ClF3N/c1-21-15(10-11-6-2-5-9-14(11)17)12-7-3-4-8-13(12)16(18,19)20/h2-9,15,21H,10H2,1H3
InChIKeyULRNGYMGCJOWOK-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.86
Rot. Bonds4

About 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine

2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 61078717) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID61078717
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15ClF3N/c1-21-15(10-11-6-2-5-9-14(11)17)12-7-3-4-8-13(12)16(18,19)20/h2-9,15,21H,10H2,1H3
InChIKeyULRNGYMGCJOWOK-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 61079847
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 79723957
3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 66467241
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745177
[2-(3-chloro-4-pyridinyl)-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105314802
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 61078717) is 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1ccccc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ULRNGYMGCJOWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-21-15(10-11-6-2-5-9-14(11)17)12-7-3-4-8-13(12)16(18,19)20/h2-9,15,21H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 313.75 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 61078717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).