[3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol

C15H15F3N2O — CID 107231794

IUPAC[3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
SMILESNc1cc(C(F)(F)F)ccc1NCc1cccc(CO)c1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-4-5-14(13(19)7-12)20-8-10-2-1-3-11(6-10)9-21/h1-7,20-21H,8-9,19H2
InChIKeyZEKDCYSTJQWGBG-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.39
Rot. Bonds4

About [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol

[3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol (PubChem CID 107231794) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
PubChem CID107231794
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name[3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
SMILESNc1cc(C(F)(F)F)ccc1NCc1cccc(CO)c1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-4-5-14(13(19)7-12)20-8-10-2-1-3-11(6-10)9-21/h1-7,20-21H,8-9,19H2
InChIKeyZEKDCYSTJQWGBG-UHFFFAOYSA-N
XLogP3.39
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol?
The IUPAC name of [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol (CID 107231794) is [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol is Nc1cc(C(F)(F)F)ccc1NCc1cccc(CO)c1.
What is the InChIKey of [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol?
The InChIKey is ZEKDCYSTJQWGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)12-4-5-14(13(19)7-12)20-8-10-2-1-3-11(6-10)9-21/h1-7,20-21H,8-9,19H2.
What are the key properties of [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol?
[3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol has a molecular weight of 296.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 107231794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).