[4-(2-hydroxypropylamino)phenyl]-phenylmethanone

C16H17NO2 — CID 59712632

IUPAC[4-(2-hydroxypropylamino)phenyl]-phenylmethanone
SMILESCC(O)CNc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(18)11-17-15-9-7-14(8-10-15)16(19)13-5-3-2-4-6-13/h2-10,12,17-18H,11H2,1H3
InChIKeyAVIFRNKILVSUQF-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.71
Rot. Bonds5

About [4-(2-hydroxypropylamino)phenyl]-phenylmethanone

[4-(2-hydroxypropylamino)phenyl]-phenylmethanone (PubChem CID 59712632) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is [4-(2-hydroxypropylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxypropylamino)phenyl]-phenylmethanone
PubChem CID59712632
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name[4-(2-hydroxypropylamino)phenyl]-phenylmethanone
SMILESCC(O)CNc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(18)11-17-15-9-7-14(8-10-15)16(19)13-5-3-2-4-6-13/h2-10,12,17-18H,11H2,1H3
InChIKeyAVIFRNKILVSUQF-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(2-hydroxypropylamino)phenyl]-phenylmethanone 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

2-(4-benzoylanilino)acetonitrile
CID 57025219
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
butane-2,3-diol;diphenylmethanone
CID 175235923
(2S)-2-(4-benzoylanilino)propanoic acid
CID 54396122
2-(4-benzoylanilino)propanoic acid
CID 23202897
3-anilino-2-methyl-1-phenylpropan-1-one
CID 13467340
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
bis[4-(ethylamino)phenyl]methanone
CID 157337395
4-(2,3-dimethylbutylamino)benzoic acid
CID 64599150
2-methyl-3-(4-phenylanilino)propanoic acid
CID 62253496
[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone
CID 168596127

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropylamino)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxypropylamino)phenyl]-phenylmethanone (CID 59712632) is [4-(2-hydroxypropylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxypropylamino)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxypropylamino)phenyl]-phenylmethanone is CC(O)CNc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(2-hydroxypropylamino)phenyl]-phenylmethanone?
The InChIKey is AVIFRNKILVSUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(18)11-17-15-9-7-14(8-10-15)16(19)13-5-3-2-4-6-13/h2-10,12,17-18H,11H2,1H3.
What are the key properties of [4-(2-hydroxypropylamino)phenyl]-phenylmethanone?
[4-(2-hydroxypropylamino)phenyl]-phenylmethanone has a molecular weight of 255.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 59712632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).