1-amino-3-(N,3-dimethylanilino)propan-2-one

C11H16N2O — CID 83818168

IUPAC1-amino-3-(N,3-dimethylanilino)propan-2-one
SMILESCc1cccc(N(C)CC(=O)CN)c1
InChIInChI=1S/C11H16N2O/c1-9-4-3-5-10(6-9)13(2)8-11(14)7-12/h3-6H,7-8,12H2,1-2H3
InChIKeyKXYZBBKYWAVXCH-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.96
Rot. Bonds4

About 1-amino-3-(N,3-dimethylanilino)propan-2-one

1-amino-3-(N,3-dimethylanilino)propan-2-one (PubChem CID 83818168) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-amino-3-(N,3-dimethylanilino)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(N,3-dimethylanilino)propan-2-one
PubChem CID83818168
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-amino-3-(N,3-dimethylanilino)propan-2-one
SMILESCc1cccc(N(C)CC(=O)CN)c1
InChIInChI=1S/C11H16N2O/c1-9-4-3-5-10(6-9)13(2)8-11(14)7-12/h3-6H,7-8,12H2,1-2H3
InChIKeyKXYZBBKYWAVXCH-UHFFFAOYSA-N
XLogP0.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
CID 62002218
methyl 2-amino-4-(N,3-dimethylanilino)butanoate
CID 63053473
methyl 2-[(N,3-dimethylanilino)methyl]butanoate
CID 115253087
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249
2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid
CID 91873233
2-[(N,3-dimethylanilino)methyl]benzohydrazide
CID 63585084
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(N,3-dimethylanilino)propan-2-one?
The IUPAC name of 1-amino-3-(N,3-dimethylanilino)propan-2-one (CID 83818168) is 1-amino-3-(N,3-dimethylanilino)propan-2-one.
What is the SMILES notation for 1-amino-3-(N,3-dimethylanilino)propan-2-one?
The canonical SMILES for 1-amino-3-(N,3-dimethylanilino)propan-2-one is Cc1cccc(N(C)CC(=O)CN)c1.
What is the InChIKey of 1-amino-3-(N,3-dimethylanilino)propan-2-one?
The InChIKey is KXYZBBKYWAVXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-4-3-5-10(6-9)13(2)8-11(14)7-12/h3-6H,7-8,12H2,1-2H3.
What are the key properties of 1-amino-3-(N,3-dimethylanilino)propan-2-one?
1-amino-3-(N,3-dimethylanilino)propan-2-one has a molecular weight of 192.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(N,3-dimethylanilino)propan-2-one is sourced from PubChem (CID 83818168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).