[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride

C15H15ClF3N — CID 166611051

IUPAC[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCc1cc(CN)cc(-c2cccc(C(F)(F)F)c2)c1.Cl
InChIInChI=1S/C15H14F3N.ClH/c1-10-5-11(9-19)7-13(6-10)12-3-2-4-14(8-12)15(16,17)18;/h2-8H,9,19H2,1H3;1H
InChIKeyLFYDOPJWZYUELF-UHFFFAOYSA-N
MW301.74 g/mol
LogP4.56
Rot. Bonds2

About [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride

[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride (PubChem CID 166611051) has the molecular formula C15H15ClF3N and a molecular weight of 301.74 g/mol. Its IUPAC name is [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
PubChem CID166611051
Molecular FormulaC15H15ClF3N
Molecular Weight301.74 g/mol
Exact Mass301.08
IUPAC Name[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
SMILESCc1cc(CN)cc(-c2cccc(C(F)(F)F)c2)c1.Cl
InChIInChI=1S/C15H14F3N.ClH/c1-10-5-11(9-19)7-13(6-10)12-3-2-4-14(8-12)15(16,17)18;/h2-8H,9,19H2,1H3;1H
InChIKeyLFYDOPJWZYUELF-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612413
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612409
[3-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 118342936
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
(3-bromophenyl)methanamine;[3-methyl-5-(trifluoromethyl)phenyl]boronic acid;[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 160789557
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152
[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine
CID 141438033
[3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 166611069
3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 71678762
2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134629064

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride (CID 166611051) is [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride is Cc1cc(CN)cc(-c2cccc(C(F)(F)F)c2)c1.Cl.
What is the InChIKey of [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
The InChIKey is LFYDOPJWZYUELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N.ClH/c1-10-5-11(9-19)7-13(6-10)12-3-2-4-14(8-12)15(16,17)18;/h2-8H,9,19H2,1H3;1H.
What are the key properties of [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride?
[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride has a molecular weight of 301.74 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 166611051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).