1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol

C16H25NO2 — CID 54938755

IUPAC1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(14-8-9-14)17-10-16(18)11-19-13(2)15-6-4-3-5-7-15/h3-7,12-14,16-18H,8-11H2,1-2H3
InChIKeyDXXGALFTKKPUTN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.51
Rot. Bonds8

About 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol

1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol (PubChem CID 54938755) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
PubChem CID54938755
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(14-8-9-14)17-10-16(18)11-19-13(2)15-6-4-3-5-7-15/h3-7,12-14,16-18H,8-11H2,1-2H3
InChIKeyDXXGALFTKKPUTN-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol (CID 54938755) is 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNC(C)C1CC1)c1ccccc1.
What is the InChIKey of 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is DXXGALFTKKPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(14-8-9-14)17-10-16(18)11-19-13(2)15-6-4-3-5-7-15/h3-7,12-14,16-18H,8-11H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol?
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 54938755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).