1-(4-aminoanilino)-3-(dimethylamino)propan-2-one

C11H17N3O — CID 91173512

IUPAC1-(4-aminoanilino)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)CNc1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-14(2)8-11(15)7-13-10-5-3-9(12)4-6-10/h3-6,13H,7-8,12H2,1-2H3
InChIKeyFBPFYZIVQQOORX-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.81
Rot. Bonds5

About 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one

1-(4-aminoanilino)-3-(dimethylamino)propan-2-one (PubChem CID 91173512) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-aminoanilino)-3-(dimethylamino)propan-2-one
PubChem CID91173512
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(4-aminoanilino)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)CNc1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-14(2)8-11(15)7-13-10-5-3-9(12)4-6-10/h3-6,13H,7-8,12H2,1-2H3
InChIKeyFBPFYZIVQQOORX-UHFFFAOYSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-p-phenylenediamine
CID 7120
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
4-Aminoacetanilide
CID 31230
4-(N-Propionylaniline)piperidine
CID 259381
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
2-Aminoacetanilide
CID 208384
2-((4-Methylpentan-2-yl)amino)-5-(phenylamino)cyclohexa-2,5-diene-1,4-dione
CID 154926030
1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-
CID 74271
Acetamide, N-[3-(diethylamino)phenyl]-
CID 80778
N,N'-Bis(1-methylethyl)benzene-1,4-diamine
CID 77924
N-(4-Piperidinyl)phenylacetamide
CID 74156

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one?
The IUPAC name of 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one (CID 91173512) is 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one is CN(C)CC(=O)CNc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one?
The InChIKey is FBPFYZIVQQOORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14(2)8-11(15)7-13-10-5-3-9(12)4-6-10/h3-6,13H,7-8,12H2,1-2H3.
What are the key properties of 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one?
1-(4-aminoanilino)-3-(dimethylamino)propan-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoanilino)-3-(dimethylamino)propan-2-one is sourced from PubChem (CID 91173512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).