1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone

C17H20N2O2 — CID 104612473

IUPAC1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
SMILESCOc1ccccc1CN(C)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C17H20N2O2/c1-12(20)15-10-14(8-9-16(15)18)19(2)11-13-6-4-5-7-17(13)21-3/h4-10H,11,18H2,1-3H3
InChIKeyCALACUBQCRGXML-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.12
Rot. Bonds5

About 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone

1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone (PubChem CID 104612473) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
PubChem CID104612473
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
SMILESCOc1ccccc1CN(C)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C17H20N2O2/c1-12(20)15-10-14(8-9-16(15)18)19(2)11-13-6-4-5-7-17(13)21-3/h4-10H,11,18H2,1-3H3
InChIKeyCALACUBQCRGXML-UHFFFAOYSA-N
XLogP3.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[(2-methoxyphenyl)methyl-methylamino]benzonitrile
CID 115499202
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
4-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 61418085
N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 76979496
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
CID 104612683
1-[2-amino-5-[methyl-[3-(methylamino)propyl]amino]phenyl]ethanone
CID 104613009

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone (CID 104612473) is 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone is COc1ccccc1CN(C)c1ccc(N)c(C(C)=O)c1.
What is the InChIKey of 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone?
The InChIKey is CALACUBQCRGXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(20)15-10-14(8-9-16(15)18)19(2)11-13-6-4-5-7-17(13)21-3/h4-10H,11,18H2,1-3H3.
What are the key properties of 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone?
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone is sourced from PubChem (CID 104612473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).