3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol

C13H17F2NO — CID 65189712

IUPAC3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
SMILESCC1CC1C(O)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO/c1-7-2-11(7)13(17)12(6-16)8-3-9(14)5-10(15)4-8/h3-5,7,11-13,17H,2,6,16H2,1H3
InChIKeyNOOKTCGEXITRDX-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.02
Rot. Bonds4

About 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol

3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol (PubChem CID 65189712) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
PubChem CID65189712
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
SMILESCC1CC1C(O)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO/c1-7-2-11(7)13(17)12(6-16)8-3-9(14)5-10(15)4-8/h3-5,7,11-13,17H,2,6,16H2,1H3
InChIKeyNOOKTCGEXITRDX-UHFFFAOYSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65187919
2-(3,5-difluorophenyl)butane-1,3-diamine
CID 57152916
2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 105406402
1-amino-2-(3,5-difluorophenyl)-4,4-dimethylhexan-3-ol
CID 65189332
4-amino-3-(3,5-difluorophenyl)-1-methylsulfonylbutan-2-ol
CID 65189953
1-amino-2-(3,5-difluorophenyl)undecan-3-ol
CID 65427983
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569
3-amino-2-(2-methoxy-5-methylphenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65185382
3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
CID 65189521
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 81116828

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol (CID 65189712) is 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol is CC1CC1C(O)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
The InChIKey is NOOKTCGEXITRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-7-2-11(7)13(17)12(6-16)8-3-9(14)5-10(15)4-8/h3-5,7,11-13,17H,2,6,16H2,1H3.
What are the key properties of 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol has a molecular weight of 241.28 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 3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol is sourced from PubChem (CID 65189712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).