[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol

C17H17F4NO — CID 155808121

IUPAC[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol
SMILESCCN(Cc1ccc(F)cc1)c1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C17H17F4NO/c1-2-22(10-12-3-6-14(18)7-4-12)15-8-5-13(11-23)16(9-15)17(19,20)21/h3-9,23H,2,10-11H2,1H3
InChIKeyQVQHNPGQRSHZIL-UHFFFAOYSA-N
MW327.32 g/mol
LogP4.36
Rot. Bonds5

About [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol

[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol (PubChem CID 155808121) has the molecular formula C17H17F4NO and a molecular weight of 327.32 g/mol. Its IUPAC name is [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol
PubChem CID155808121
Molecular FormulaC17H17F4NO
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol
SMILESCCN(Cc1ccc(F)cc1)c1ccc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C17H17F4NO/c1-2-22(10-12-3-6-14(18)7-4-12)15-8-5-13(11-23)16(9-15)17(19,20)21/h3-9,23H,2,10-11H2,1H3
InChIKeyQVQHNPGQRSHZIL-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol (CID 155808121) is [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol is CCN(Cc1ccc(F)cc1)c1ccc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is QVQHNPGQRSHZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4NO/c1-2-22(10-12-3-6-14(18)7-4-12)15-8-5-13(11-23)16(9-15)17(19,20)21/h3-9,23H,2,10-11H2,1H3.
What are the key properties of [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol?
[4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 327.32 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl-[(4-fluorophenyl)methyl]amino]-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 155808121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).