2-chloro-4,5-dimethylaniline

C8H10ClN — CID 53416768

IUPAC2-chloro-4,5-dimethylaniline
SMILESCc1cc(N)c(Cl)cc1C
InChIInChI=1S/C8H10ClN/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,10H2,1-2H3
InChIKeyCJZAXFZHDSZLRR-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.54
Rot. Bonds

About 2-chloro-4,5-dimethylaniline

2-chloro-4,5-dimethylaniline (PubChem CID 53416768) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 2-chloro-4,5-dimethylaniline.

Molecular Properties

Compound Name2-chloro-4,5-dimethylaniline
PubChem CID53416768
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name2-chloro-4,5-dimethylaniline
SMILESCc1cc(N)c(Cl)cc1C
InChIInChI=1S/C8H10ClN/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,10H2,1-2H3
InChIKeyCJZAXFZHDSZLRR-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline
CID 107607819
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
5-amino-2-chloro-4-methylphenol
CID 21428510
2-chloro-4-(2,5-dimethylthiophen-3-yl)-5-methylaniline
CID 104668338
2-chloro-5-methyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 115554375
4-(azocan-1-yl)-2-chloro-5-methylaniline
CID 113334138
2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline
CID 104668336
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
2-chloro-4-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554524
2-chloro-4-cyclobutyloxy-5-methylaniline
CID 115555322

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethylaniline?
The IUPAC name of 2-chloro-4,5-dimethylaniline (CID 53416768) is 2-chloro-4,5-dimethylaniline.
What is the SMILES notation for 2-chloro-4,5-dimethylaniline?
The canonical SMILES for 2-chloro-4,5-dimethylaniline is Cc1cc(N)c(Cl)cc1C.
What is the InChIKey of 2-chloro-4,5-dimethylaniline?
The InChIKey is CJZAXFZHDSZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,10H2,1-2H3.
What are the key properties of 2-chloro-4,5-dimethylaniline?
2-chloro-4,5-dimethylaniline has a molecular weight of 155.63 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethylaniline is sourced from PubChem (CID 53416768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).