1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine

C16H15ClF3N — CID 102755598

IUPAC1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(C(C)N)c(Cl)c1
InChIInChI=1S/C16H15ClF3N/c1-9-7-12(16(18,19)20)4-6-13(9)11-3-5-14(10(2)21)15(17)8-11/h3-8,10H,21H2,1-2H3
InChIKeyLSVHVTRNWDSICB-UHFFFAOYSA-N
MW313.75 g/mol
LogP5.35
Rot. Bonds2

About 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine

1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine (PubChem CID 102755598) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine
PubChem CID102755598
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC Name1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(C(C)N)c(Cl)c1
InChIInChI=1S/C16H15ClF3N/c1-9-7-12(16(18,19)20)4-6-13(9)11-3-5-14(10(2)21)15(17)8-11/h3-8,10H,21H2,1-2H3
InChIKeyLSVHVTRNWDSICB-UHFFFAOYSA-N
XLogP5.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.75
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine (CID 102755598) is 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine is Cc1cc(C(F)(F)F)ccc1-c1ccc(C(C)N)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine?
The InChIKey is LSVHVTRNWDSICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-9-7-12(16(18,19)20)4-6-13(9)11-3-5-14(10(2)21)15(17)8-11/h3-8,10H,21H2,1-2H3.
What are the key properties of 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine?
1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine has a molecular weight of 313.75 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 102755598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).