1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one

C11H14ClNO — CID 82161718

IUPAC1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one
SMILESCC(=O)C(Cl)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H14ClNO/c1-8(14)11(12)9-4-6-10(7-5-9)13(2)3/h4-7,11H,1-3H3
InChIKeyDCUAOXXRNILQEP-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.62
Rot. Bonds3

About 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one

1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one (PubChem CID 82161718) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one.

Molecular Properties

Compound Name1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one
PubChem CID82161718
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one
SMILESCC(=O)C(Cl)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H14ClNO/c1-8(14)11(12)9-4-6-10(7-5-9)13(2)3/h4-7,11H,1-3H3
InChIKeyDCUAOXXRNILQEP-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one 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

(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
S-[bis[4-(dimethylamino)phenyl]methyl] ethanethioate
CID 12656517
1-chloro-1-(4-nitrophenyl)propan-2-one
CID 13381943
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656
2,4-bis[4-(dimethylamino)phenyl]-1,1,5,5-tetrahydroxypentan-3-one
CID 174873775
2-bromo-2-[4-(dimethylamino)phenyl]acetic acid
CID 20558335
(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
CID 95440369
4-[1-chloro-2-(dimethylamino)ethyl]-N,N-dimethylaniline
CID 82215480
4-(3-chloro-4-methylpentan-2-yl)-N,N-dimethylaniline
CID 79297990
ethyl 2-acetyl-3-[4-(dimethylamino)phenyl]butanoate
CID 102373019
N-[2-amino-1-[4-(dimethylamino)phenyl]-2-sulfanylideneethyl]-N-methylacetamide
CID 82122665
2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid
CID 82315419

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one?
The IUPAC name of 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one (CID 82161718) is 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one.
What is the SMILES notation for 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one?
The canonical SMILES for 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one is CC(=O)C(Cl)c1ccc(N(C)C)cc1.
What is the InChIKey of 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one?
The InChIKey is DCUAOXXRNILQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8(14)11(12)9-4-6-10(7-5-9)13(2)3/h4-7,11H,1-3H3.
What are the key properties of 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one?
1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one has a molecular weight of 211.69 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[4-(dimethylamino)phenyl]propan-2-one is sourced from PubChem (CID 82161718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).