1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C16H15ClF3N — CID 81316901

IUPAC1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cc(Cl)cc(C(N)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H15ClF3N/c1-10-6-12(9-14(17)7-10)15(21)8-11-2-4-13(5-3-11)16(18,19)20/h2-7,9,15H,8,21H2,1H3
InChIKeyKQPIZCUMDZVGPC-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.91
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 81316901) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID81316901
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cc(Cl)cc(C(N)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H15ClF3N/c1-10-6-12(9-14(17)7-10)15(21)8-11-2-4-13(5-3-11)16(18,19)20/h2-7,9,15H,8,21H2,1H3
InChIKeyKQPIZCUMDZVGPC-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 63841377
2-(4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299082
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 114454050
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704483
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 81316901) is 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is Cc1cc(Cl)cc(C(N)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is KQPIZCUMDZVGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-10-6-12(9-14(17)7-10)15(21)8-11-2-4-13(5-3-11)16(18,19)20/h2-7,9,15H,8,21H2,1H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 313.75 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 81316901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).