1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone

C11H16N2O — CID 82468958

IUPAC1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)C)c(N)c1
InChIInChI=1S/C11H16N2O/c1-7(2)13-11-5-4-9(8(3)14)6-10(11)12/h4-7,13H,12H2,1-3H3
InChIKeyDGLCESUXOGCBEX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.29
Rot. Bonds3

About 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone

1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone (PubChem CID 82468958) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone
PubChem CID82468958
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)C)c(N)c1
InChIInChI=1S/C11H16N2O/c1-7(2)13-11-5-4-9(8(3)14)6-10(11)12/h4-7,13H,12H2,1-3H3
InChIKeyDGLCESUXOGCBEX-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.29
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

3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
CID 100619240
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
CID 59080758
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
1-[3-amino-4-[(4-methylphenyl)methylamino]phenyl]ethanone
CID 82482011
3-amino-4-(propan-2-ylamino)benzenesulfonamide
CID 43153415
1-[3-amino-4-(2-phenylethylamino)phenyl]ethanone
CID 96664330

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone?
The IUPAC name of 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone (CID 82468958) is 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone is CC(=O)c1ccc(NC(C)C)c(N)c1.
What is the InChIKey of 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone?
The InChIKey is DGLCESUXOGCBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)13-11-5-4-9(8(3)14)6-10(11)12/h4-7,13H,12H2,1-3H3.
What are the key properties of 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone?
1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone is sourced from PubChem (CID 82468958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).