1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone

C12H18N2O — CID 104612184

IUPAC1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
SMILESCCC(C)Nc1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C12H18N2O/c1-4-8(2)14-10-5-6-12(13)11(7-10)9(3)15/h5-8,14H,4,13H2,1-3H3
InChIKeyAETFCFLLZCDAKN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone

1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone (PubChem CID 104612184) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
PubChem CID104612184
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone
SMILESCCC(C)Nc1ccc(N)c(C(C)=O)c1
InChIInChI=1S/C12H18N2O/c1-4-8(2)14-10-5-6-12(13)11(7-10)9(3)15/h5-8,14H,4,13H2,1-3H3
InChIKeyAETFCFLLZCDAKN-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
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-(3-methylbutylamino)phenyl]ethanone
CID 104612208
1-[2-amino-5-(2-methylpropylamino)phenyl]ethanone
CID 104612186
1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone
CID 104612544
1-[2-amino-5-(1-cyclopentylethylamino)phenyl]ethanone
CID 104612853
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580
2-amino-5-(5-methylhexan-2-ylamino)benzamide
CID 63925139
2-amino-5-(1-cyclopropylbutan-2-ylamino)benzoic acid
CID 63994008
1-[2-amino-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
CID 104613096
4-N-[(2S)-butan-2-yl]-2-nitrobenzene-1,4-diamine
CID 163875157
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
methyl 2-amino-5-(1-ethylsulfanylpropan-2-ylamino)benzoate
CID 113499324
1-N-butan-2-yl-4-fluorobenzene-1,3-diamine
CID 79678033

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone (CID 104612184) is 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone is CCC(C)Nc1ccc(N)c(C(C)=O)c1.
What is the InChIKey of 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone?
The InChIKey is AETFCFLLZCDAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-8(2)14-10-5-6-12(13)11(7-10)9(3)15/h5-8,14H,4,13H2,1-3H3.
What are the key properties of 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone?
1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone has a molecular weight of 206.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(butan-2-ylamino)phenyl]ethanone is sourced from PubChem (CID 104612184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).