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

C14H21NO2 — CID 64802892

IUPAC2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
SMILESCc1ccc(C)c(OCC(CO)NC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-10-3-4-11(2)14(7-10)17-9-13(8-16)15-12-5-6-12/h3-4,7,12-13,15-16H,5-6,8-9H2,1-2H3
InChIKeyGDIFOLIDMNFDRJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds6

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

2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol (PubChem CID 64802892) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
PubChem CID64802892
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
SMILESCc1ccc(C)c(OCC(CO)NC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-10-3-4-11(2)14(7-10)17-9-13(8-16)15-12-5-6-12/h3-4,7,12-13,15-16H,5-6,8-9H2,1-2H3
InChIKeyGDIFOLIDMNFDRJ-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
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-methyl-5-propan-2-ylphenoxy)propan-1-ol
CID 64811420
3-(2,5-dimethylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803102
3-(2,5-dimethylphenoxy)-2-(propylamino)propan-1-ol
CID 64804340
3-(2,5-dimethylphenoxy)-2-methylpropan-1-ol
CID 82075966
1-cyclopropyl-2-(2,5-dimethylphenoxy)ethanol
CID 63907048
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
2-(cyclopropylamino)-4-(2,5-dimethylphenoxy)butanoic acid
CID 55143193
2-(cyclopropylamino)-3-phenoxypropan-1-ol
CID 64804143
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol (CID 64802892) is 2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol is Cc1ccc(C)c(OCC(CO)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol?
The InChIKey is GDIFOLIDMNFDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-4-11(2)14(7-10)17-9-13(8-16)15-12-5-6-12/h3-4,7,12-13,15-16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol?
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.80, 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-dimethylphenoxy)propan-1-ol is sourced from PubChem (CID 64802892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).