2-[[N-(methylamino)anilino]methyl]aniline

C14H17N3 — CID 13376543

IUPAC2-[[N-(methylamino)anilino]methyl]aniline
SMILESCNN(Cc1ccccc1N)c1ccccc1
InChIInChI=1S/C14H17N3/c1-16-17(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10,16H,11,15H2,1H3
InChIKeyZALCSHQYIQOOOG-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.41
Rot. Bonds4

About 2-[[N-(methylamino)anilino]methyl]aniline

2-[[N-(methylamino)anilino]methyl]aniline (PubChem CID 13376543) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[[N-(methylamino)anilino]methyl]aniline.

Molecular Properties

Compound Name2-[[N-(methylamino)anilino]methyl]aniline
PubChem CID13376543
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[[N-(methylamino)anilino]methyl]aniline
SMILESCNN(Cc1ccccc1N)c1ccccc1
InChIInChI=1S/C14H17N3/c1-16-17(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10,16H,11,15H2,1H3
InChIKeyZALCSHQYIQOOOG-UHFFFAOYSA-N
XLogP2.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[N-(methylamino)anilino]methyl]aniline?
The IUPAC name of 2-[[N-(methylamino)anilino]methyl]aniline (CID 13376543) is 2-[[N-(methylamino)anilino]methyl]aniline.
What is the SMILES notation for 2-[[N-(methylamino)anilino]methyl]aniline?
The canonical SMILES for 2-[[N-(methylamino)anilino]methyl]aniline is CNN(Cc1ccccc1N)c1ccccc1.
What is the InChIKey of 2-[[N-(methylamino)anilino]methyl]aniline?
The InChIKey is ZALCSHQYIQOOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-16-17(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h2-10,16H,11,15H2,1H3.
What are the key properties of 2-[[N-(methylamino)anilino]methyl]aniline?
2-[[N-(methylamino)anilino]methyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-(methylamino)anilino]methyl]aniline is sourced from PubChem (CID 13376543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).