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

C15H24FNO2 — CID 104628067

IUPAC3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO2/c1-15(2,3)14(7-8-18)17-10-13(19)11-5-4-6-12(16)9-11/h4-6,9,13-14,17-19H,7-8,10H2,1-3H3
InChIKeyASLBSIOFCHCWIZ-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.25
Rot. Bonds6

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

3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 104628067) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID104628067
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO2/c1-15(2,3)14(7-8-18)17-10-13(19)11-5-4-6-12(16)9-11/h4-6,9,13-14,17-19H,7-8,10H2,1-3H3
InChIKeyASLBSIOFCHCWIZ-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 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628168
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949846
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628106
1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979915
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628144
1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355439
1-(3-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355811
1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
CID 107151876
1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 60981253
(1S)-1-(3-fluorophenyl)-5,5-dimethylhexan-1-ol;hydrochloride
CID 158976565

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol (CID 104628067) is 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NCC(O)c1cccc(F)c1.
What is the InChIKey of 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is ASLBSIOFCHCWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-15(2,3)14(7-8-18)17-10-13(19)11-5-4-6-12(16)9-11/h4-6,9,13-14,17-19H,7-8,10H2,1-3H3.
What are the key properties of 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol?
3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-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 3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104628067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).