1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol

C15H24FNO — CID 60979915

IUPAC1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
SMILESCC(C)CCC(C)NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-11(2)7-8-12(3)17-10-15(18)13-5-4-6-14(16)9-13/h4-6,9,11-12,15,17-18H,7-8,10H2,1-3H3
InChIKeyNLMDWQFZSVBYJA-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.27
Rot. Bonds7

About 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol

1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol (PubChem CID 60979915) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
PubChem CID60979915
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
SMILESCC(C)CCC(C)NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-11(2)7-8-12(3)17-10-15(18)13-5-4-6-14(16)9-13/h4-6,9,11-12,15,17-18H,7-8,10H2,1-3H3
InChIKeyNLMDWQFZSVBYJA-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-2-(5-methylhexan-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

1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 60981253
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
CID 60899473
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979913
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
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
3-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-1-ol
CID 104628067
1-(3-fluorophenyl)-2-[1-[4-[2-(methylamino)ethoxy]phenyl]propan-2-ylamino]ethanol;dihydrobromide
CID 70468513
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol (CID 60979915) is 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol is CC(C)CCC(C)NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol?
The InChIKey is NLMDWQFZSVBYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(2)7-8-12(3)17-10-15(18)13-5-4-6-14(16)9-13/h4-6,9,11-12,15,17-18H,7-8,10H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol?
1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol has a molecular weight of 253.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol is sourced from PubChem (CID 60979915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).