2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol

C12H17F2NO — CID 62021731

IUPAC2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-9(2)15(5-6-16)8-10-7-11(13)3-4-12(10)14/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyTXNGBLTYXIOQGB-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.17
Rot. Bonds5

About 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol

2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol (PubChem CID 62021731) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
PubChem CID62021731
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-9(2)15(5-6-16)8-10-7-11(13)3-4-12(10)14/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyTXNGBLTYXIOQGB-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol 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

2-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115970192
2-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 115880050
3-bromo-N-[(2,5-difluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80680405
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872
3-[5-fluoro-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenyl]prop-2-enoic acid
CID 76911021
2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 113453837
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
3-[(2,4-difluorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 55045952
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
3-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60838993
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 80670345
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol (CID 62021731) is 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol?
The InChIKey is TXNGBLTYXIOQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-9(2)15(5-6-16)8-10-7-11(13)3-4-12(10)14/h3-4,7,9,16H,5-6,8H2,1-2H3.
What are the key properties of 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol?
2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol has a molecular weight of 229.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 62021731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).