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

C13H19F2NO — CID 82316344

IUPAC1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
SMILESCCNC(C(C)C)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-4-16-12(8(2)3)13(17)9-5-6-10(14)11(15)7-9/h5-8,12-13,16-17H,4H2,1-3H3
InChIKeyIPMNDFUDXDMGII-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.63
Rot. Bonds5

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

1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol (PubChem CID 82316344) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
PubChem CID82316344
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
SMILESCCNC(C(C)C)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-4-16-12(8(2)3)13(17)9-5-6-10(14)11(15)7-9/h5-8,12-13,16-17H,4H2,1-3H3
InChIKeyIPMNDFUDXDMGII-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312422
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
CID 64719429
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 82315113
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 82316272
3-(3,4-difluorophenyl)-3-hydroxy-2-methylpropanenitrile
CID 79137149

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol (CID 82316344) is 1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol is CCNC(C(C)C)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol?
The InChIKey is IPMNDFUDXDMGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-16-12(8(2)3)13(17)9-5-6-10(14)11(15)7-9/h5-8,12-13,16-17H,4H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol?
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 82316344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).