[2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol

C17H16ClF4NO — CID 155809848

IUPAC[2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol
SMILESCCN(Cc1c(F)cccc1C(F)(F)F)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C17H16ClF4NO/c1-2-23(12-7-6-11(10-24)15(18)8-12)9-13-14(17(20,21)22)4-3-5-16(13)19/h3-8,24H,2,9-10H2,1H3
InChIKeyOTOLHLZSLNPRFS-UHFFFAOYSA-N
MW361.77 g/mol
LogP5.02
Rot. Bonds5

About [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol

[2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol (PubChem CID 155809848) has the molecular formula C17H16ClF4NO and a molecular weight of 361.77 g/mol. Its IUPAC name is [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol
PubChem CID155809848
Molecular FormulaC17H16ClF4NO
Molecular Weight361.77 g/mol
Exact Mass361.09
IUPAC Name[2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol
SMILESCCN(Cc1c(F)cccc1C(F)(F)F)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C17H16ClF4NO/c1-2-23(12-7-6-11(10-24)15(18)8-12)9-13-14(17(20,21)22)4-3-5-16(13)19/h3-8,24H,2,9-10H2,1H3
InChIKeyOTOLHLZSLNPRFS-UHFFFAOYSA-N
XLogP5.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.77
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol?
The IUPAC name of [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol (CID 155809848) is [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol is CCN(Cc1c(F)cccc1C(F)(F)F)c1ccc(CO)c(Cl)c1.
What is the InChIKey of [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol?
The InChIKey is OTOLHLZSLNPRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF4NO/c1-2-23(12-7-6-11(10-24)15(18)8-12)9-13-14(17(20,21)22)4-3-5-16(13)19/h3-8,24H,2,9-10H2,1H3.
What are the key properties of [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol?
[2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol has a molecular weight of 361.77 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]amino]phenyl]methanol is sourced from PubChem (CID 155809848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).