2-N-benzyl-1-N-methylbenzene-1,2-diamine

C14H16N2 — CID 3760667

IUPAC2-N-benzyl-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccccc1NCc1ccccc1
InChIInChI=1S/C14H16N2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3
InChIKeyHSILOYXWDFISQM-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.34
Rot. Bonds4

About 2-N-benzyl-1-N-methylbenzene-1,2-diamine

2-N-benzyl-1-N-methylbenzene-1,2-diamine (PubChem CID 3760667) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-N-benzyl-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-1-N-methylbenzene-1,2-diamine
PubChem CID3760667
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-N-benzyl-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccccc1NCc1ccccc1
InChIInChI=1S/C14H16N2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3
InChIKeyHSILOYXWDFISQM-UHFFFAOYSA-N
XLogP3.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

Desipramine
CID 2995
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-ethyl-3-methylaniline
CID 7603
N-Ethyl-N-benzylaniline
CID 7098
N-(3-Methylphenyl)aniline
CID 14569
N,N'-Diphenylethylenediamine
CID 67422
N,N'-Di-o-tolylethylenediamine
CID 66759
N-Phenyl-p-toluidine
CID 12109
Benzylaniline
CID 66028
N-Phenyl-o-phenylenediamine
CID 68297
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-benzyl-1-N-methylbenzene-1,2-diamine (CID 3760667) is 2-N-benzyl-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-benzyl-1-N-methylbenzene-1,2-diamine is CNc1ccccc1NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-1-N-methylbenzene-1,2-diamine?
The InChIKey is HSILOYXWDFISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3.
What are the key properties of 2-N-benzyl-1-N-methylbenzene-1,2-diamine?
2-N-benzyl-1-N-methylbenzene-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 3760667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).