1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone

C14H22N2O — CID 104612387

IUPAC1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone
SMILESCCCC(C)N(C)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C14H22N2O/c1-5-6-10(2)16(4)12-7-8-14(15)13(9-12)11(3)17/h7-10H,5-6,15H2,1-4H3
InChIKeyDWYITPCSRSYESP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone

1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone (PubChem CID 104612387) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone
PubChem CID104612387
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone
SMILESCCCC(C)N(C)c1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C14H22N2O/c1-5-6-10(2)16(4)12-7-8-14(15)13(9-12)11(3)17/h7-10H,5-6,15H2,1-4H3
InChIKeyDWYITPCSRSYESP-UHFFFAOYSA-N
XLogP3.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.10
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-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone
CID 103187601
1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine
CID 62910764
2-amino-5-[methyl(pentan-3-yl)amino]benzamide
CID 55134579
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404
1-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]ethanone
CID 104612406
3-(3-acetyl-4-amino-N-ethylanilino)-2-methylpropanenitrile
CID 104612585
1-[2-amino-5-[4-(dimethylamino)anilino]phenyl]ethanone
CID 104612418
ethyl 2-amino-5-[methyl(pentan-3-yl)amino]benzoate
CID 55137191
1-[2-amino-5-[methyl-[3-(methylamino)propyl]amino]phenyl]ethanone
CID 104613009
ethyl 2-amino-5-[propan-2-yl(propyl)amino]benzoate
CID 61307358
1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
CID 104612683

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone (CID 104612387) is 1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone is CCCC(C)N(C)c1ccc(N)c(C(C)=O)c1.
What is the InChIKey of 1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone?
The InChIKey is DWYITPCSRSYESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-6-10(2)16(4)12-7-8-14(15)13(9-12)11(3)17/h7-10H,5-6,15H2,1-4H3.
What are the key properties of 1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone?
1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 3.10, 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-[methyl(pentan-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 104612387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).