1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone

C17H20N2O2 — CID 104528229

IUPAC1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone
SMILESCOc1ccc(CCNc2ccc(C(C)=O)c(N)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(20)16-8-5-14(11-17(16)18)19-10-9-13-3-6-15(21-2)7-4-13/h3-8,11,19H,9-10,18H2,1-2H3
InChIKeyGZCKTLBJSWYJAL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone

1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone (PubChem CID 104528229) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone
PubChem CID104528229
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone
SMILESCOc1ccc(CCNc2ccc(C(C)=O)c(N)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(20)16-8-5-14(11-17(16)18)19-10-9-13-3-6-15(21-2)7-4-13/h3-8,11,19H,9-10,18H2,1-2H3
InChIKeyGZCKTLBJSWYJAL-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
1-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 104528246
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone
CID 106899320
1-[2-amino-4-(decylamino)phenyl]ethanone
CID 104529025
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
1-[2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]phenyl]ethanone
CID 106037639
1-[2-amino-4-[3-(dimethylamino)propylamino]phenyl]ethanone
CID 104528251
N-(4-acetylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236959

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone (CID 104528229) is 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone is COc1ccc(CCNc2ccc(C(C)=O)c(N)c2)cc1.
What is the InChIKey of 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone?
The InChIKey is GZCKTLBJSWYJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(20)16-8-5-14(11-17(16)18)19-10-9-13-3-6-15(21-2)7-4-13/h3-8,11,19H,9-10,18H2,1-2H3.
What are the key properties of 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone?
1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[2-(4-methoxyphenyl)ethylamino]phenyl]ethanone is sourced from PubChem (CID 104528229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).