4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol

C13H19F2NO — CID 66092240

IUPAC4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-9(5-6-17)8-16-10(2)12-4-3-11(14)7-13(12)15/h3-4,7,9-10,16-17H,5-6,8H2,1-2H3
InChIKeyVHEQUMJUIHXSME-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.63
Rot. Bonds6

About 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol

4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 66092240) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID66092240
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC(C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-9(5-6-17)8-16-10(2)12-4-3-11(14)7-13(12)15/h3-4,7,9-10,16-17H,5-6,8H2,1-2H3
InChIKeyVHEQUMJUIHXSME-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97358724
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 66092261
2-[1-[(4-hydroxy-2-methylbutyl)amino]ethyl]benzene-1,4-diol
CID 66090624
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(2,4-difluorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 113261034
4-[1-[(2-ethyl-4-hydroxybutyl)amino]ethyl]-3-fluorobenzonitrile
CID 110028651
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethanamine
CID 43177273

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol (CID 66092240) is 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol is CC(CCO)CNC(C)c1ccc(F)cc1F.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is VHEQUMJUIHXSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(5-6-17)8-16-10(2)12-4-3-11(14)7-13(12)15/h3-4,7,9-10,16-17H,5-6,8H2,1-2H3.
What are the key properties of 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66092240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).