[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol

C11H15F2NO — CID 63077921

IUPAC[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol
SMILESCC(C)N(C)c1c(F)cc(CO)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(2)14(3)11-9(12)4-8(6-15)5-10(11)13/h4-5,7,15H,6H2,1-3H3
InChIKeyZWRPJVVQMMEARV-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.30
Rot. Bonds3

About [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol

[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol (PubChem CID 63077921) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol
PubChem CID63077921
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol
SMILESCC(C)N(C)c1c(F)cc(CO)cc1F
InChIInChI=1S/C11H15F2NO/c1-7(2)14(3)11-9(12)4-8(6-15)5-10(11)13/h4-5,7,15H,6H2,1-3H3
InChIKeyZWRPJVVQMMEARV-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3,5-difluoro-4-[methyl(propan-2-yl)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

Related Compounds

[3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol
CID 112661796
[4-[1-(3-chlorophenyl)ethyl-methylamino]-3,5-difluorophenyl]methanol
CID 63075837
4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline
CID 63787264
2-[2,6-difluoro-4-(hydroxymethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 63077398
4-(chloromethyl)-2,6-difluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 63539620
3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde
CID 63052056
[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol
CID 63076878
[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol
CID 63077755
[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 63077393
2-fluoro-4-(hydroxymethyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 79187726
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-2,6-difluoro-N-methylaniline
CID 63565693
[4-[2-ethoxyethyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 55226530

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol (CID 63077921) is [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol is CC(C)N(C)c1c(F)cc(CO)cc1F.
What is the InChIKey of [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol?
The InChIKey is ZWRPJVVQMMEARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(2)14(3)11-9(12)4-8(6-15)5-10(11)13/h4-5,7,15H,6H2,1-3H3.
What are the key properties of [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol?
[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol has a molecular weight of 215.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 63077921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).