1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol

C12H17F2NO — CID 65189911

IUPAC1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
SMILESCC(C)C(O)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-7(2)12(16)10(6-15)9-4-3-8(13)5-11(9)14/h3-5,7,10,12,16H,6,15H2,1-2H3
InChIKeyAEXSMSYUGHNMIE-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.02
Rot. Bonds4

About 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol

1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol (PubChem CID 65189911) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
PubChem CID65189911
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
SMILESCC(C)C(O)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-7(2)12(16)10(6-15)9-4-3-8(13)5-11(9)14/h3-5,7,10,12,16H,6,15H2,1-2H3
InChIKeyAEXSMSYUGHNMIE-UHFFFAOYSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 65189770
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 82876956
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol
CID 107003524
1-amino-2-(2,4-difluorophenyl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 65189676
2-[(2,4-difluorophenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443637
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol
CID 65189724
2-(aminomethyl)-1-(2,4-difluorophenyl)butan-1-ol
CID 65187853
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol?
The IUPAC name of 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol (CID 65189911) is 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol.
What is the SMILES notation for 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol?
The canonical SMILES for 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol is CC(C)C(O)C(CN)c1ccc(F)cc1F.
What is the InChIKey of 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol?
The InChIKey is AEXSMSYUGHNMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-7(2)12(16)10(6-15)9-4-3-8(13)5-11(9)14/h3-5,7,10,12,16H,6,15H2,1-2H3.
What are the key properties of 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol?
1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol has a molecular weight of 229.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol is sourced from PubChem (CID 65189911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).