5-(3-amino-4-methylphenyl)-2,3-dimethylaniline

C15H18N2 — CID 165490203

IUPAC5-(3-amino-4-methylphenyl)-2,3-dimethylaniline
SMILESCc1ccc(-c2cc(C)c(C)c(N)c2)cc1N
InChIInChI=1S/C15H18N2/c1-9-4-5-12(7-14(9)16)13-6-10(2)11(3)15(17)8-13/h4-8H,16-17H2,1-3H3
InChIKeyPQFGYWQZLKWOQN-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.44
Rot. Bonds1

About 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline

5-(3-amino-4-methylphenyl)-2,3-dimethylaniline (PubChem CID 165490203) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline.

Molecular Properties

Compound Name5-(3-amino-4-methylphenyl)-2,3-dimethylaniline
PubChem CID165490203
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name5-(3-amino-4-methylphenyl)-2,3-dimethylaniline
SMILESCc1ccc(-c2cc(C)c(C)c(N)c2)cc1N
InChIInChI=1S/C15H18N2/c1-9-4-5-12(7-14(9)16)13-6-10(2)11(3)15(17)8-13/h4-8H,16-17H2,1-3H3
InChIKeyPQFGYWQZLKWOQN-UHFFFAOYSA-N
XLogP3.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline?
The IUPAC name of 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline (CID 165490203) is 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline.
What is the SMILES notation for 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline?
The canonical SMILES for 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline is Cc1ccc(-c2cc(C)c(C)c(N)c2)cc1N.
What is the InChIKey of 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline?
The InChIKey is PQFGYWQZLKWOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-9-4-5-12(7-14(9)16)13-6-10(2)11(3)15(17)8-13/h4-8H,16-17H2,1-3H3.
What are the key properties of 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline?
5-(3-amino-4-methylphenyl)-2,3-dimethylaniline has a molecular weight of 226.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-methylphenyl)-2,3-dimethylaniline is sourced from PubChem (CID 165490203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).