2,6-dimethylaniline;2-methylaniline

C15H20N2 — CID 160714609

IUPAC2,6-dimethylaniline;2-methylaniline
SMILESCc1cccc(C)c1N.Cc1ccccc1N
InChIInChI=1S/C8H11N.C7H9N/c1-6-4-3-5-7(2)8(6)9;1-6-4-2-3-5-7(6)8/h3-5H,9H2,1-2H3;2-5H,8H2,1H3
InChIKeyRSHOJSKRTWVQLH-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.46
Rot. Bonds

About 2,6-dimethylaniline;2-methylaniline

2,6-dimethylaniline;2-methylaniline (PubChem CID 160714609) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,6-dimethylaniline;2-methylaniline.

Molecular Properties

Compound Name2,6-dimethylaniline;2-methylaniline
PubChem CID160714609
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2,6-dimethylaniline;2-methylaniline
SMILESCc1cccc(C)c1N.Cc1ccccc1N
InChIInChI=1S/C8H11N.C7H9N/c1-6-4-3-5-7(2)8(6)9;1-6-4-2-3-5-7(6)8/h3-5H,9H2,1-2H3;2-5H,8H2,1H3
InChIKeyRSHOJSKRTWVQLH-UHFFFAOYSA-N
XLogP3.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-Toluidine
CID 7242
4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
p-Toluidine
CID 7813
Benzidine
CID 7111
2,4-Dimethylaniline
CID 7250
4-Aminobiphenyl
CID 7102
2,6-Diaminotoluene
CID 13205
2,5-Diaminotoluene
CID 7252
2-Aminobiphenyl
CID 7015
3,5-Dimethylaniline
CID 7949
2,5-Dimethylaniline
CID 7259

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylaniline;2-methylaniline?
The IUPAC name of 2,6-dimethylaniline;2-methylaniline (CID 160714609) is 2,6-dimethylaniline;2-methylaniline.
What is the SMILES notation for 2,6-dimethylaniline;2-methylaniline?
The canonical SMILES for 2,6-dimethylaniline;2-methylaniline is Cc1cccc(C)c1N.Cc1ccccc1N.
What is the InChIKey of 2,6-dimethylaniline;2-methylaniline?
The InChIKey is RSHOJSKRTWVQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H9N/c1-6-4-3-5-7(2)8(6)9;1-6-4-2-3-5-7(6)8/h3-5H,9H2,1-2H3;2-5H,8H2,1H3.
What are the key properties of 2,6-dimethylaniline;2-methylaniline?
2,6-dimethylaniline;2-methylaniline has a molecular weight of 228.34 g/mol, XLogP of 3.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylaniline;2-methylaniline is sourced from PubChem (CID 160714609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).