2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol

C17H27NO2 — CID 116542872

IUPAC2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol
SMILESCC(C)Cc1cccc(C(C)(O)CC2COCCN2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)9-14-5-4-6-15(10-14)17(3,19)11-16-12-20-8-7-18-16/h4-6,10,13,16,18-19H,7-9,11-12H2,1-3H3
InChIKeyYVCDHGQXKRJZBT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.47
Rot. Bonds5

About 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol

2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol (PubChem CID 116542872) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol
PubChem CID116542872
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol
SMILESCC(C)Cc1cccc(C(C)(O)CC2COCCN2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)9-14-5-4-6-15(10-14)17(3,19)11-16-12-20-8-7-18-16/h4-6,10,13,16,18-19H,7-9,11-12H2,1-3H3
InChIKeyYVCDHGQXKRJZBT-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-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 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol?
The IUPAC name of 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol (CID 116542872) is 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol.
What is the SMILES notation for 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol?
The canonical SMILES for 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol is CC(C)Cc1cccc(C(C)(O)CC2COCCN2)c1.
What is the InChIKey of 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol?
The InChIKey is YVCDHGQXKRJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)9-14-5-4-6-15(10-14)17(3,19)11-16-12-20-8-7-18-16/h4-6,10,13,16,18-19H,7-9,11-12H2,1-3H3.
What are the key properties of 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol?
2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol is sourced from PubChem (CID 116542872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).