1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol

C15H24N2O3 — CID 102860471

IUPAC1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol
SMILESNc1cccc(OCC(O)CN(CCO)C2CCC2)c1
InChIInChI=1S/C15H24N2O3/c16-12-3-1-6-15(9-12)20-11-14(19)10-17(7-8-18)13-4-2-5-13/h1,3,6,9,13-14,18-19H,2,4-5,7-8,10-11,16H2
InChIKeyRCHQVWSPWKKZIO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.86
Rot. Bonds8

About 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol

1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 102860471) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol
PubChem CID102860471
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol
SMILESNc1cccc(OCC(O)CN(CCO)C2CCC2)c1
InChIInChI=1S/C15H24N2O3/c16-12-3-1-6-15(9-12)20-11-14(19)10-17(7-8-18)13-4-2-5-13/h1,3,6,9,13-14,18-19H,2,4-5,7-8,10-11,16H2
InChIKeyRCHQVWSPWKKZIO-UHFFFAOYSA-N
XLogP0.86
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]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

Related Compounds

1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 61443793
4-[3-[cyclohexyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]benzonitrile
CID 110906642
3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline
CID 55002197
1-(3-aminophenoxy)-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 61425754
1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 114797133
1-(3-aminophenoxy)-3-ethoxypropan-2-ol
CID 10680007
1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364468
1-(3-aminophenoxy)-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43364555
3-[[3-(3-aminophenoxy)-2-hydroxypropyl]-methylamino]propanenitrile
CID 43364541
1-[3-(3-aminophenoxy)-2-hydroxypropyl]pyrrolidine-3,4-diol
CID 106667883
1-(3-aminophenoxy)-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 61450020
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol (CID 102860471) is 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol is Nc1cccc(OCC(O)CN(CCO)C2CCC2)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is RCHQVWSPWKKZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-12-3-1-6-15(9-12)20-11-14(19)10-17(7-8-18)13-4-2-5-13/h1,3,6,9,13-14,18-19H,2,4-5,7-8,10-11,16H2.
What are the key properties of 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol?
1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 102860471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).