3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol

C14H19F2NO — CID 107003524

IUPAC3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol
SMILESCC1(C)CC1C(O)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-14(2)6-11(14)13(18)10(7-17)9-4-3-8(15)5-12(9)16/h3-5,10-11,13,18H,6-7,17H2,1-2H3
InChIKeyXQXQQDFCBNYTFQ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.41
Rot. Bonds4

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

3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol (PubChem CID 107003524) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol
PubChem CID107003524
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol
SMILESCC1(C)CC1C(O)C(CN)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-14(2)6-11(14)13(18)10(7-17)9-4-3-8(15)5-12(9)16/h3-5,10-11,13,18H,6-7,17H2,1-2H3
InChIKeyXQXQQDFCBNYTFQ-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
CID 65189911
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
1-amino-2-(2,4-difluorophenyl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 65189676
3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 65189770
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
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-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 82876956
3-amino-1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107955043
2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 55157458
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol (CID 107003524) is 3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol is CC1(C)CC1C(O)C(CN)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol?
The InChIKey is XQXQQDFCBNYTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(2)6-11(14)13(18)10(7-17)9-4-3-8(15)5-12(9)16/h3-5,10-11,13,18H,6-7,17H2,1-2H3.
What are the key properties of 3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol?
3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)propan-1-ol is sourced from PubChem (CID 107003524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).