2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol

C12H15F2NO2 — CID 64809098

IUPAC2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
SMILESOCC(COc1cc(F)ccc1F)NC1CC1
InChIInChI=1S/C12H15F2NO2/c13-8-1-4-11(14)12(5-8)17-7-10(6-16)15-9-2-3-9/h1,4-5,9-10,15-16H,2-3,6-7H2
InChIKeyLHOIRYNFDHACFD-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.46
Rot. Bonds6

About 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol

2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol (PubChem CID 64809098) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
PubChem CID64809098
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
SMILESOCC(COc1cc(F)ccc1F)NC1CC1
InChIInChI=1S/C12H15F2NO2/c13-8-1-4-11(14)12(5-8)17-7-10(6-16)15-9-2-3-9/h1,4-5,9-10,15-16H,2-3,6-7H2
InChIKeyLHOIRYNFDHACFD-UHFFFAOYSA-N
XLogP1.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
CID 64856319
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propanoic acid
CID 55167943
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
2-(cyclopropylamino)-4-(2,5-difluorophenoxy)butanoic acid
CID 63269768
2-(cyclopropylamino)-3-phenoxypropan-1-ol
CID 64804143
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311
3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
CID 64805124
2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
CID 64811420
4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)propan-1-ol
CID 107669202
N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067234

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol (CID 64809098) is 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol is OCC(COc1cc(F)ccc1F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol?
The InChIKey is LHOIRYNFDHACFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-8-1-4-11(14)12(5-8)17-7-10(6-16)15-9-2-3-9/h1,4-5,9-10,15-16H,2-3,6-7H2.
What are the key properties of 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol?
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol has a molecular weight of 243.25 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol is sourced from PubChem (CID 64809098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).