3-chloro-2-methylaniline

C7H8ClN — CID 6894

IUPAC3-chloro-2-methylaniline
SMILESCc1c(N)cccc1Cl
InChIInChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
InChIKeyZUVPLKVDZNDZCM-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.23
Rot. Bonds

About 3-chloro-2-methylaniline

3-chloro-2-methylaniline (PubChem CID 6894) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 3-chloro-2-methylaniline.

Molecular Properties

Compound Name3-chloro-2-methylaniline
PubChem CID6894
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name3-chloro-2-methylaniline
SMILESCc1c(N)cccc1Cl
InChIInChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
InChIKeyZUVPLKVDZNDZCM-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

O-Toluidine
CID 7242
3-Chloroaniline
CID 7932
5-Chloro-2-methylaniline
CID 7260
3-Chloro-4-methylaniline
CID 7255
2-Toluidine hydrochloride
CID 12484
4-Chloro-2-toluidine
CID 7251
p-Chloro-o-toluidine hydrochloride
CID 18487
2-Chloro-p-toluidine
CID 12007
Benzenamine, 4-chloro-2-(trifluoromethyl)-
CID 67961
2-Chloro-6-nitrotoluene
CID 6740
2-Chloro-6-methylaniline
CID 6897
3-Chloro-4-methylaniline hydrochloride
CID 62651

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylaniline?
The IUPAC name of 3-chloro-2-methylaniline (CID 6894) is 3-chloro-2-methylaniline.
What is the SMILES notation for 3-chloro-2-methylaniline?
The canonical SMILES for 3-chloro-2-methylaniline is Cc1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-methylaniline?
The InChIKey is ZUVPLKVDZNDZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3.
What are the key properties of 3-chloro-2-methylaniline?
3-chloro-2-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 3-chloro-2-methylaniline is sourced from PubChem (CID 6894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).