1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone

C18H22N2O — CID 104612656

IUPAC1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(NCc2ccc(C(C)C)cc2)ccc1N
InChIInChI=1S/C18H22N2O/c1-12(2)15-6-4-14(5-7-15)11-20-16-8-9-18(19)17(10-16)13(3)21/h4-10,12,20H,11,19H2,1-3H3
InChIKeyXRSPEYOBGAAANU-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.21
Rot. Bonds5

About 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone

1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone (PubChem CID 104612656) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone
PubChem CID104612656
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(NCc2ccc(C(C)C)cc2)ccc1N
InChIInChI=1S/C18H22N2O/c1-12(2)15-6-4-14(5-7-15)11-20-16-8-9-18(19)17(10-16)13(3)21/h4-10,12,20H,11,19H2,1-3H3
InChIKeyXRSPEYOBGAAANU-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone 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-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186
1-[2-amino-5-(3-methylbutylamino)phenyl]ethanone
CID 104612208
1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone
CID 106899320
1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 104528246
1-[2-amino-5-[(5-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 113433041
5-methyl-3-N-[(4-propan-2-ylphenyl)methyl]benzene-1,3-diamine
CID 112647602
1-[2-amino-5-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182377
1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
CID 104612184
4-(3-acetyl-4-aminoanilino)butanamide
CID 113432981
1-[2-amino-5-(2-methylsulfanylethylamino)phenyl]ethanone
CID 104612845
1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone
CID 104612748
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone (CID 104612656) is 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone is CC(=O)c1cc(NCc2ccc(C(C)C)cc2)ccc1N.
What is the InChIKey of 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone?
The InChIKey is XRSPEYOBGAAANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)15-6-4-14(5-7-15)11-20-16-8-9-18(19)17(10-16)13(3)21/h4-10,12,20H,11,19H2,1-3H3.
What are the key properties of 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone?
1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone has a molecular weight of 282.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(4-propan-2-ylphenyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 104612656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).