1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol

C13H20FNO — CID 60899473

IUPAC1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
SMILESCC(C)C(C)NCC(O)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-9(2)10(3)15-8-13(16)11-5-4-6-12(14)7-11/h4-7,9-10,13,15-16H,8H2,1-3H3
InChIKeyDRNGEQDPRGMXRA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.49
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol

1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol (PubChem CID 60899473) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
PubChem CID60899473
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol
SMILESCC(C)C(C)NCC(O)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-9(2)10(3)15-8-13(16)11-5-4-6-12(14)7-11/h4-7,9-10,13,15-16H,8H2,1-3H3
InChIKeyDRNGEQDPRGMXRA-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979915
2-(3-methylbutan-2-ylamino)-1-phenylethanol
CID 12904820
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-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
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-(4-phenylbutan-2-ylamino)ethanol
CID 60981253
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol (CID 60899473) is 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol is CC(C)C(C)NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol?
The InChIKey is DRNGEQDPRGMXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)10(3)15-8-13(16)11-5-4-6-12(14)7-11/h4-7,9-10,13,15-16H,8H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol?
1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol has a molecular weight of 225.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-methylbutan-2-ylamino)ethanol is sourced from PubChem (CID 60899473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).