1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol

C14H21F2NO — CID 82935066

IUPAC1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO/c1-10(2)17-7-6-14(3,18)9-11-4-5-12(15)13(16)8-11/h4-5,8,10,17-18H,6-7,9H2,1-3H3
InChIKeyFQGJFYYAPZYRJN-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.65
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol

1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol (PubChem CID 82935066) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol
PubChem CID82935066
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H21F2NO/c1-10(2)17-7-6-14(3,18)9-11-4-5-12(15)13(16)8-11/h4-5,8,10,17-18H,6-7,9H2,1-3H3
InChIKeyFQGJFYYAPZYRJN-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-methyl-4-(methylamino)butan-2-ol
CID 82934575
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304479
1-(3,4-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558289
3-(3,4-difluorophenyl)-2-hydroxy-2-methylpropanal
CID 82919795
2-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 82935794
1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66000874
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919
2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 118878544
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol (CID 82935066) is 1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol is CC(C)NCCC(C)(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is FQGJFYYAPZYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(2)17-7-6-14(3,18)9-11-4-5-12(15)13(16)8-11/h4-5,8,10,17-18H,6-7,9H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol?
1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 257.32 g/mol, XLogP of 2.65, 6 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-methyl-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 82935066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).