1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol

C15H24FNO2 — CID 107151876

IUPAC1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCC(O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO2/c1-15(2,3)8-13(18)9-17-10-14(19)11-5-4-6-12(16)7-11/h4-7,13-14,17-19H,8-10H2,1-3H3
InChIKeyKZTFDSPYRVNQLS-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.25
Rot. Bonds6

About 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol

1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol (PubChem CID 107151876) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
PubChem CID107151876
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCC(O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO2/c1-15(2,3)8-13(18)9-17-10-14(19)11-5-4-6-12(16)7-11/h4-7,13-14,17-19H,8-10H2,1-3H3
InChIKeyKZTFDSPYRVNQLS-UHFFFAOYSA-N
XLogP2.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-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

1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
1-(3-fluorophenyl)-2-(3-methylbut-2-enylamino)ethanol
CID 106547043
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
(1S)-1-(3-fluorophenyl)-5,5-dimethylhexan-1-ol;hydrochloride
CID 158976565
4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
CID 114331841
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
CID 60898398

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol (CID 107151876) is 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCC(O)c1cccc(F)c1.
What is the InChIKey of 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol?
The InChIKey is KZTFDSPYRVNQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-15(2,3)8-13(18)9-17-10-14(19)11-5-4-6-12(16)7-11/h4-7,13-14,17-19H,8-10H2,1-3H3.
What are the key properties of 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol?
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).