2-chloro-4-methylaniline

C7H8ClN — CID 12007

IUPAC2-chloro-4-methylaniline
SMILESCc1ccc(N)c(Cl)c1
InChIInChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKeyXGYLSRFSXKAYCR-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.23
Rot. Bonds

About 2-chloro-4-methylaniline

2-chloro-4-methylaniline (PubChem CID 12007) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 2-chloro-4-methylaniline.

Molecular Properties

Compound Name2-chloro-4-methylaniline
PubChem CID12007
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name2-chloro-4-methylaniline
SMILESCc1ccc(N)c(Cl)c1
InChIInChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKeyXGYLSRFSXKAYCR-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.23
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

4-methyl-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197887
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
1,2-dichloro-4-methylbenzene;zinc
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2-chloro-4-(2-chloro-4-methylphenoxy)-5-methylaniline
CID 115555326
4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
(2-chloro-4-methylphenyl) thiohypofluorite
CID 144706929
2,3-dichloro-6-methylnaphthalene
CID 21366530
2,4-dichloroaniline;molecular nitrogen
CID 69010854
CID 89203110
CID 89203110
2,4-dimethylaniline;methanol
CID 70633605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylaniline?
The IUPAC name of 2-chloro-4-methylaniline (CID 12007) is 2-chloro-4-methylaniline.
What is the SMILES notation for 2-chloro-4-methylaniline?
The canonical SMILES for 2-chloro-4-methylaniline is Cc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methylaniline?
The InChIKey is XGYLSRFSXKAYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3.
What are the key properties of 2-chloro-4-methylaniline?
2-chloro-4-methylaniline has a molecular weight of 141.60 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylaniline is sourced from PubChem (CID 12007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).