3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol

C12H17F2NO — CID 111469141

IUPAC3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)NCc1cccc(F)c1F
InChIInChI=1S/C12H17F2NO/c1-12(2,6-7-16)15-8-9-4-3-5-10(13)11(9)14/h3-5,15-16H,6-8H2,1-2H3
InChIKeyRGOYLRAVDFZRQH-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.22
Rot. Bonds5

About 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol

3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol (PubChem CID 111469141) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol
PubChem CID111469141
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)NCc1cccc(F)c1F
InChIInChI=1S/C12H17F2NO/c1-12(2,6-7-16)15-8-9-4-3-5-10(13)11(9)14/h3-5,15-16H,6-8H2,1-2H3
InChIKeyRGOYLRAVDFZRQH-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol 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

N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
CID 115630727
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
CID 103700276
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115134092
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655973
3-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469040
N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114308202
3-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 115702691
N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
4-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylbutan-2-amine
CID 114934231
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol (CID 111469141) is 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol is CC(C)(CCO)NCc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is RGOYLRAVDFZRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,6-7-16)15-8-9-4-3-5-10(13)11(9)14/h3-5,15-16H,6-8H2,1-2H3.
What are the key properties of 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol?
3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 111469141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).