1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone

C18H22N2O — CID 104612404

IUPAC1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
SMILESCCc1ccc(CN(C)c2ccc(N)c(C(C)=O)c2)cc1
InChIInChI=1S/C18H22N2O/c1-4-14-5-7-15(8-6-14)12-20(3)16-9-10-18(19)17(11-16)13(2)21/h5-11H,4,12,19H2,1-3H3
InChIKeyROPFJHYRPQOXJA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone

1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone (PubChem CID 104612404) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
PubChem CID104612404
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
SMILESCCc1ccc(CN(C)c2ccc(N)c(C(C)=O)c2)cc1
InChIInChI=1S/C18H22N2O/c1-4-14-5-7-15(8-6-14)12-20(3)16-9-10-18(19)17(11-16)13(2)21/h5-11H,4,12,19H2,1-3H3
InChIKeyROPFJHYRPQOXJA-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528417
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
1-N-[(4-ethylphenyl)methyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 55130362
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone
CID 104612411
1-[2-amino-5-[methyl-[3-(methylamino)propyl]amino]phenyl]ethanone
CID 104613009
1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone
CID 104612387
methyl 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzoate
CID 63423524
2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61416275
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide
CID 107281144

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone (CID 104612404) is 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone is CCc1ccc(CN(C)c2ccc(N)c(C(C)=O)c2)cc1.
What is the InChIKey of 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone?
The InChIKey is ROPFJHYRPQOXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-14-5-7-15(8-6-14)12-20(3)16-9-10-18(19)17(11-16)13(2)21/h5-11H,4,12,19H2,1-3H3.
What are the key properties of 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone?
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone has a molecular weight of 282.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone is sourced from PubChem (CID 104612404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).