4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol

C11H16F2N2O — CID 117039096

IUPAC4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
SMILESCN(CC(O)CCN)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O/c1-15(7-9(16)4-5-14)8-2-3-10(12)11(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3
InChIKeyOXWNHLJMRIIVEK-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.11
Rot. Bonds5

About 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol

4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol (PubChem CID 117039096) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
PubChem CID117039096
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
SMILESCN(CC(O)CCN)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2O/c1-15(7-9(16)4-5-14)8-2-3-10(12)11(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3
InChIKeyOXWNHLJMRIIVEK-UHFFFAOYSA-N
XLogP1.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
CID 117039080
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 117039136
4-amino-1-[1,3-benzoxazol-6-yl(methyl)amino]butan-2-ol
CID 117039134
1-[3-[(4-amino-2-hydroxybutyl)-methylamino]phenyl]ethanone
CID 112514419
1-(3-chloro-4-fluoro-N-methylanilino)-4-(methylamino)butan-2-ol
CID 112514805
4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
CID 117039127
1-(4-chloro-N-methylanilino)-4-(methylamino)butan-2-ol
CID 112514513
4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
CID 117039211
4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol
CID 117039116
5-(4-fluoro-N-methylanilino)-4-hydroxypentanoic acid
CID 115122614
3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134569

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol?
The IUPAC name of 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol (CID 117039096) is 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol.
What is the SMILES notation for 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol?
The canonical SMILES for 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol is CN(CC(O)CCN)c1ccc(F)c(F)c1.
What is the InChIKey of 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol?
The InChIKey is OXWNHLJMRIIVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-15(7-9(16)4-5-14)8-2-3-10(12)11(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3.
What are the key properties of 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol?
4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol has a molecular weight of 230.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol is sourced from PubChem (CID 117039096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).