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

C13H20N2O — CID 114468361

IUPAC1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)CN(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(9-15(3)4)14-13-7-5-12(6-8-13)11(2)16/h5-8,10,14H,9H2,1-4H3
InChIKeyQMJYOXIDBSIGSL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.25
Rot. Bonds5

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

1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone (PubChem CID 114468361) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
PubChem CID114468361
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)CN(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(9-15(3)4)14-13-7-5-12(6-8-13)11(2)16/h5-8,10,14H,9H2,1-4H3
InChIKeyQMJYOXIDBSIGSL-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
CID 115576830
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
N-(4-acetylphenyl)-N'-[1-(dimethylamino)-4-methylpentan-2-yl]oxamide
CID 71888767
1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 142294720
2-(4-acetylanilino)-N-methylpropanamide
CID 115573414
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
1-[4-(but-3-en-2-ylamino)phenyl]ethanone
CID 114468469
N,N-dimethyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43681981
ethyl 2-(4-acetylanilino)propanoate
CID 62004850
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
4-acetamidobenzoic acid;(2S)-1-(dimethylamino)propan-2-ol
CID 76964719
2-(4-acetylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42917950

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone (CID 114468361) is 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone is CC(=O)c1ccc(NC(C)CN(C)C)cc1.
What is the InChIKey of 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone?
The InChIKey is QMJYOXIDBSIGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(9-15(3)4)14-13-7-5-12(6-8-13)11(2)16/h5-8,10,14H,9H2,1-4H3.
What are the key properties of 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone?
1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone has a molecular weight of 220.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone is sourced from PubChem (CID 114468361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).