1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone

C15H23NO2 — CID 22569822

IUPAC1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone
SMILESCCCN(CCC)Cc1cccc(C(=O)CO)c1
InChIInChI=1S/C15H23NO2/c1-3-8-16(9-4-2)11-13-6-5-7-14(10-13)15(18)12-17/h5-7,10,17H,3-4,8-9,11-12H2,1-2H3
InChIKeyXUNJYBFCOKRTDW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds8

About 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone

1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone (PubChem CID 22569822) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone
PubChem CID22569822
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone
SMILESCCCN(CCC)Cc1cccc(C(=O)CO)c1
InChIInChI=1S/C15H23NO2/c1-3-8-16(9-4-2)11-13-6-5-7-14(10-13)15(18)12-17/h5-7,10,17H,3-4,8-9,11-12H2,1-2H3
InChIKeyXUNJYBFCOKRTDW-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone 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

3-[(dipropylamino)methyl]benzoyl chloride
CID 54263377
3-[(dipropylamino)methyl]benzamide
CID 82041313
N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61424625
3-[[2-piperidin-1-ylethyl(propyl)amino]methyl]benzoic acid
CID 122034203
3-[[methyl(propyl)amino]methyl]benzoic acid
CID 43271448
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
2-[(3-nitrophenyl)methyl-propylamino]ethanol
CID 30981311
2-[(3-carbamothioylphenyl)methyl-propylamino]-N-methylacetamide
CID 54984391
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid
CID 122040180
3-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 22685949
3-(diethylaminomethyl)benzohydrazide
CID 63571195

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone (CID 22569822) is 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone is CCCN(CCC)Cc1cccc(C(=O)CO)c1.
What is the InChIKey of 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone?
The InChIKey is XUNJYBFCOKRTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)11-13-6-5-7-14(10-13)15(18)12-17/h5-7,10,17H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone?
1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone has a molecular weight of 249.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 22569822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).