4-(dichloromethyl)-2,3-dimethylaniline

C9H11Cl2N — CID 54345845

IUPAC4-(dichloromethyl)-2,3-dimethylaniline
SMILESCc1c(N)ccc(C(Cl)Cl)c1C
InChIInChI=1S/C9H11Cl2N/c1-5-6(2)8(12)4-3-7(5)9(10)11/h3-4,9H,12H2,1-2H3
InChIKeyUCGOQVWVIZDANO-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.36
Rot. Bonds1

About 4-(dichloromethyl)-2,3-dimethylaniline

4-(dichloromethyl)-2,3-dimethylaniline (PubChem CID 54345845) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 4-(dichloromethyl)-2,3-dimethylaniline.

Molecular Properties

Compound Name4-(dichloromethyl)-2,3-dimethylaniline
PubChem CID54345845
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name4-(dichloromethyl)-2,3-dimethylaniline
SMILESCc1c(N)ccc(C(Cl)Cl)c1C
InChIInChI=1S/C9H11Cl2N/c1-5-6(2)8(12)4-3-7(5)9(10)11/h3-4,9H,12H2,1-2H3
InChIKeyUCGOQVWVIZDANO-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-aminoethyl]-3-chloro-2-methylaniline
CID 55274204
1-(4-amino-2,3-dimethylphenyl)-3-bromopropane-1,2-diol
CID 171860042
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride
CID 173092762
2,3-dimethylbenzene-1,4-diamine;oxalic acid
CID 70167322
4-propan-2-ylbenzene-1,2,3-triamine
CID 163998803
3-chloro-2,4-dimethylaniline
CID 15278607
3-amino-1-(4-amino-2-fluoro-3-methylphenyl)propane-1,2-diol
CID 170828062
1-(4-amino-2-fluoro-3-methylphenyl)-3-chloropropane-1,2-diol
CID 171862059
4-methoxy-2,3-dimethylaniline
CID 11094809
aniline;4-chloro-2,3-dimethylaniline
CID 172775905
1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone
CID 170996729

Frequently Asked Questions

What is the IUPAC name of 4-(dichloromethyl)-2,3-dimethylaniline?
The IUPAC name of 4-(dichloromethyl)-2,3-dimethylaniline (CID 54345845) is 4-(dichloromethyl)-2,3-dimethylaniline.
What is the SMILES notation for 4-(dichloromethyl)-2,3-dimethylaniline?
The canonical SMILES for 4-(dichloromethyl)-2,3-dimethylaniline is Cc1c(N)ccc(C(Cl)Cl)c1C.
What is the InChIKey of 4-(dichloromethyl)-2,3-dimethylaniline?
The InChIKey is UCGOQVWVIZDANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-5-6(2)8(12)4-3-7(5)9(10)11/h3-4,9H,12H2,1-2H3.
What are the key properties of 4-(dichloromethyl)-2,3-dimethylaniline?
4-(dichloromethyl)-2,3-dimethylaniline has a molecular weight of 204.10 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dichloromethyl)-2,3-dimethylaniline is sourced from PubChem (CID 54345845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).