[3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride

C15H15ClF3NO — CID 166611069

IUPAC[3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
SMILESCc1cc(CN)cc(-c2ccccc2OC(F)(F)F)c1.Cl
InChIInChI=1S/C15H14F3NO.ClH/c1-10-6-11(9-19)8-12(7-10)13-4-2-3-5-14(13)20-15(16,17)18;/h2-8H,9,19H2,1H3;1H
InChIKeyUFURVIHVMBSHNY-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.44
Rot. Bonds3

About [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride

[3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride (PubChem CID 166611069) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
PubChem CID166611069
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name[3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
SMILESCc1cc(CN)cc(-c2ccccc2OC(F)(F)F)c1.Cl
InChIInChI=1S/C15H14F3NO.ClH/c1-10-6-11(9-19)8-12(7-10)13-4-2-3-5-14(13)20-15(16,17)18;/h2-8H,9,19H2,1H3;1H
InChIKeyUFURVIHVMBSHNY-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
[3-methyl-5-(2-propan-2-ylphenyl)phenyl]methanamine
CID 175663793
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 166611051
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118833201
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride (CID 166611069) is [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride is Cc1cc(CN)cc(-c2ccccc2OC(F)(F)F)c1.Cl.
What is the InChIKey of [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride?
The InChIKey is UFURVIHVMBSHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO.ClH/c1-10-6-11(9-19)8-12(7-10)13-4-2-3-5-14(13)20-15(16,17)18;/h2-8H,9,19H2,1H3;1H.
What are the key properties of [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride?
[3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride has a molecular weight of 317.74 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 166611069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).