2-amino-1-[3-(dimethylamino)phenyl]propan-1-one

C11H16N2O — CID 57002275

IUPAC2-amino-1-[3-(dimethylamino)phenyl]propan-1-one
SMILESCC(N)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C11H16N2O/c1-8(12)11(14)9-5-4-6-10(7-9)13(2)3/h4-8H,12H2,1-3H3
InChIKeyYJSLYPVCLNHRII-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.28
Rot. Bonds3

About 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one

2-amino-1-[3-(dimethylamino)phenyl]propan-1-one (PubChem CID 57002275) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(dimethylamino)phenyl]propan-1-one
PubChem CID57002275
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-1-[3-(dimethylamino)phenyl]propan-1-one
SMILESCC(N)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C11H16N2O/c1-8(12)11(14)9-5-4-6-10(7-9)13(2)3/h4-8H,12H2,1-3H3
InChIKeyYJSLYPVCLNHRII-UHFFFAOYSA-N
XLogP1.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[3-(dimethylamino)phenyl]methanone
CID 14534104
2-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601034
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 55151142
3-(1-aminoethenyl)-N,N-dimethylaniline
CID 163229020
1-[3-(dimethylamino)phenyl]prop-2-en-1-one
CID 19375664
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one (CID 57002275) is 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one is CC(N)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one?
The InChIKey is YJSLYPVCLNHRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(12)11(14)9-5-4-6-10(7-9)13(2)3/h4-8H,12H2,1-3H3.
What are the key properties of 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one?
2-amino-1-[3-(dimethylamino)phenyl]propan-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(dimethylamino)phenyl]propan-1-one is sourced from PubChem (CID 57002275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).