[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol

C15H14F3NO — CID 115911656

IUPAC[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(C(F)(F)F)ccc2N)cc1
InChIInChI=1S/C15H14F3NO/c1-9-2-4-10(5-3-9)14(20)12-8-11(15(16,17)18)6-7-13(12)19/h2-8,14,20H,19H2,1H3
InChIKeyIPDZUVQXGCYQSC-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.68
Rot. Bonds2

About [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol

[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol (PubChem CID 115911656) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol
PubChem CID115911656
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(C(F)(F)F)ccc2N)cc1
InChIInChI=1S/C15H14F3NO/c1-9-2-4-10(5-3-9)14(20)12-8-11(15(16,17)18)6-7-13(12)19/h2-8,14,20H,19H2,1H3
InChIKeyIPDZUVQXGCYQSC-UHFFFAOYSA-N
XLogP3.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(3-fluoro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107128571
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
[2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol
CID 106645175
[2-amino-5-(trifluoromethyl)phenyl]-(3-bromothiophen-2-yl)methanol
CID 112556351
2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline
CID 146643122
3-[2-amino-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropanenitrile
CID 171870881

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol?
The IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol (CID 115911656) is [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol.
What is the SMILES notation for [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol?
The canonical SMILES for [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol is Cc1ccc(C(O)c2cc(C(F)(F)F)ccc2N)cc1.
What is the InChIKey of [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol?
The InChIKey is IPDZUVQXGCYQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9-2-4-10(5-3-9)14(20)12-8-11(15(16,17)18)6-7-13(12)19/h2-8,14,20H,19H2,1H3.
What are the key properties of [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol?
[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol has a molecular weight of 281.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol is sourced from PubChem (CID 115911656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).