1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride

C16H17ClF3N — CID 168665304

IUPAC1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc(C(C)N)cc1.Cl
InChIInChI=1S/C16H16F3N.ClH/c1-10-3-8-14(16(17,18)19)9-15(10)13-6-4-12(5-7-13)11(2)20;/h3-9,11H,20H2,1-2H3;1H
InChIKeyRCZLQJUCVJINDS-UHFFFAOYSA-N
MW315.77 g/mol
LogP5.12
Rot. Bonds2

About 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride

1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride (PubChem CID 168665304) has the molecular formula C16H17ClF3N and a molecular weight of 315.77 g/mol. Its IUPAC name is 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride
PubChem CID168665304
Molecular FormulaC16H17ClF3N
Molecular Weight315.77 g/mol
Exact Mass315.10
IUPAC Name1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc(C(C)N)cc1.Cl
InChIInChI=1S/C16H16F3N.ClH/c1-10-3-8-14(16(17,18)19)9-15(10)13-6-4-12(5-7-13)11(2)20;/h3-9,11H,20H2,1-2H3;1H
InChIKeyRCZLQJUCVJINDS-UHFFFAOYSA-N
XLogP5.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.77
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[5-(1-aminoethyl)-2-methylphenyl]phenol
CID 115036232
1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 102755598
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
1-[4-(2,4-dimethylphenyl)phenyl]ethanamine
CID 61033767
1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
CID 168665288
1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 168665303
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
CID 82541614
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 54911995
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride (CID 168665304) is 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride is Cc1ccc(C(F)(F)F)cc1-c1ccc(C(C)N)cc1.Cl.
What is the InChIKey of 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride?
The InChIKey is RCZLQJUCVJINDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N.ClH/c1-10-3-8-14(16(17,18)19)9-15(10)13-6-4-12(5-7-13)11(2)20;/h3-9,11H,20H2,1-2H3;1H.
What are the key properties of 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride?
1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride has a molecular weight of 315.77 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-5-(trifluoromethyl)phenyl]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 168665304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).