2-chloro-6-methylaniline

C7H8ClN — CID 6897

IUPAC2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1N
InChIInChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
InChIKeyWFNLHDJJZSJARK-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.23
Rot. Bonds

About 2-chloro-6-methylaniline

2-chloro-6-methylaniline (PubChem CID 6897) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 2-chloro-6-methylaniline.

Molecular Properties

Compound Name2-chloro-6-methylaniline
PubChem CID6897
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name2-chloro-6-methylaniline
SMILESCc1cccc(Cl)c1N
InChIInChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3
InChIKeyWFNLHDJJZSJARK-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

5-Chloro-2-methylaniline
CID 7260
4-Chloro-2-toluidine
CID 7251
p-Chloro-o-toluidine hydrochloride
CID 18487
2-Chloro-p-toluidine
CID 12007
3-Chloro-2-methylaniline
CID 6894
Benzenamine, 4-chloro-2-(trifluoromethyl)-
CID 67961
2-Chloro-5-methylaniline
CID 66770
2,6-Dichloro-3-methylaniline
CID 116529
2-Chloro-4,6-dimethylaniline
CID 113033
2-Chloro-4-trifluoromethylaniline
CID 162001
4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
4-Chloro-2,6-dimethylaniline
CID 5073362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylaniline?
The IUPAC name of 2-chloro-6-methylaniline (CID 6897) is 2-chloro-6-methylaniline.
What is the SMILES notation for 2-chloro-6-methylaniline?
The canonical SMILES for 2-chloro-6-methylaniline is Cc1cccc(Cl)c1N.
What is the InChIKey of 2-chloro-6-methylaniline?
The InChIKey is WFNLHDJJZSJARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3.
What are the key properties of 2-chloro-6-methylaniline?
2-chloro-6-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-6-methylaniline is sourced from PubChem (CID 6897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).