3-(2-amino-5-methylphenyl)-2-methylaniline

C14H16N2 — CID 68787486

IUPAC3-(2-amino-5-methylphenyl)-2-methylaniline
SMILESCc1ccc(N)c(-c2cccc(N)c2C)c1
InChIInChI=1S/C14H16N2/c1-9-6-7-14(16)12(8-9)11-4-3-5-13(15)10(11)2/h3-8H,15-16H2,1-2H3
InChIKeyBKEYJNVZHFMKAM-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.13
Rot. Bonds1

About 3-(2-amino-5-methylphenyl)-2-methylaniline

3-(2-amino-5-methylphenyl)-2-methylaniline (PubChem CID 68787486) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-(2-amino-5-methylphenyl)-2-methylaniline.

Molecular Properties

Compound Name3-(2-amino-5-methylphenyl)-2-methylaniline
PubChem CID68787486
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-(2-amino-5-methylphenyl)-2-methylaniline
SMILESCc1ccc(N)c(-c2cccc(N)c2C)c1
InChIInChI=1S/C14H16N2/c1-9-6-7-14(16)12(8-9)11-4-3-5-13(15)10(11)2/h3-8H,15-16H2,1-2H3
InChIKeyBKEYJNVZHFMKAM-UHFFFAOYSA-N
XLogP3.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.13
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 3-(2-amino-5-methylphenyl)-2-methylaniline?
The IUPAC name of 3-(2-amino-5-methylphenyl)-2-methylaniline (CID 68787486) is 3-(2-amino-5-methylphenyl)-2-methylaniline.
What is the SMILES notation for 3-(2-amino-5-methylphenyl)-2-methylaniline?
The canonical SMILES for 3-(2-amino-5-methylphenyl)-2-methylaniline is Cc1ccc(N)c(-c2cccc(N)c2C)c1.
What is the InChIKey of 3-(2-amino-5-methylphenyl)-2-methylaniline?
The InChIKey is BKEYJNVZHFMKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9-6-7-14(16)12(8-9)11-4-3-5-13(15)10(11)2/h3-8H,15-16H2,1-2H3.
What are the key properties of 3-(2-amino-5-methylphenyl)-2-methylaniline?
3-(2-amino-5-methylphenyl)-2-methylaniline has a molecular weight of 212.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylphenyl)-2-methylaniline is sourced from PubChem (CID 68787486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).