1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one

C18H21NO2 — CID 146238632

IUPAC1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)CNCCc1ccc(O)cc1
InChIInChI=1S/C18H21NO2/c20-17-9-6-16(7-10-17)12-13-19-14-18(21)11-8-15-4-2-1-3-5-15/h1-7,9-10,19-20H,8,11-14H2
InChIKeyFKJALANBUIHMJN-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.73
Rot. Bonds8

About 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one

1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one (PubChem CID 146238632) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one
PubChem CID146238632
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)CNCCc1ccc(O)cc1
InChIInChI=1S/C18H21NO2/c20-17-9-6-16(7-10-17)12-13-19-14-18(21)11-8-15-4-2-1-3-5-15/h1-7,9-10,19-20H,8,11-14H2
InChIKeyFKJALANBUIHMJN-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one 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-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
4-phenyl-1-(prop-2-ynylamino)butan-2-one
CID 116589465
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
phenol;4-phenylbutan-2-one
CID 160537429
4-[2-[(3-hydroxy-2-phenylpropyl)amino]ethyl]phenol;oxalic acid
CID 67928393
2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
CID 64583240
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 172913635

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one?
The IUPAC name of 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one (CID 146238632) is 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one is O=C(CCc1ccccc1)CNCCc1ccc(O)cc1.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one?
The InChIKey is FKJALANBUIHMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17-9-6-16(7-10-17)12-13-19-14-18(21)11-8-15-4-2-1-3-5-15/h1-7,9-10,19-20H,8,11-14H2.
What are the key properties of 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one?
1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one has a molecular weight of 283.37 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)ethylamino]-4-phenylbutan-2-one is sourced from PubChem (CID 146238632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).