2-N,2-N-dibenzylbenzene-1,2-diamine

C20H20N2 — CID 23459358

IUPAC2-N,2-N-dibenzylbenzene-1,2-diamine
SMILESNc1ccccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20N2/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16,21H2
InChIKeyBMWFMMUWDJJRJE-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.48
Rot. Bonds5

About 2-N,2-N-dibenzylbenzene-1,2-diamine

2-N,2-N-dibenzylbenzene-1,2-diamine (PubChem CID 23459358) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-N,2-N-dibenzylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dibenzylbenzene-1,2-diamine
PubChem CID23459358
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2-N,2-N-dibenzylbenzene-1,2-diamine
SMILESNc1ccccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20N2/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16,21H2
InChIKeyBMWFMMUWDJJRJE-UHFFFAOYSA-N
XLogP4.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
3-[2-amino-6-(dibenzylamino)phenyl]prop-2-enoic acid
CID 68858081
2-(dibenzylamino)benzonitrile
CID 83779732
N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide
CID 141090307
N,N-dibenzylaniline
CID 139071697
2-N,2-N-bis(2-chloroethyl)benzene-1,2-diamine;hydrobromide
CID 45260144
2-(2-amino-N-benzyl-5-chloroanilino)ethanol
CID 115468874
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine
CID 28983511
2-N-[2-(2-amino-N-(2-aminophenyl)anilino)phenyl]-2-N-(2-aminophenyl)benzene-1,2-diamine
CID 23069489
amino-(2-aminophenyl)carbamic acid
CID 143072822
4-bromo-2-fluoro-5-methylaniline;N,N-dibenzyl-4-bromo-2-fluoro-5-methylaniline
CID 160989196

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibenzylbenzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dibenzylbenzene-1,2-diamine (CID 23459358) is 2-N,2-N-dibenzylbenzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dibenzylbenzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dibenzylbenzene-1,2-diamine is Nc1ccccc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-N,2-N-dibenzylbenzene-1,2-diamine?
The InChIKey is BMWFMMUWDJJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c21-19-13-7-8-14-20(19)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16,21H2.
What are the key properties of 2-N,2-N-dibenzylbenzene-1,2-diamine?
2-N,2-N-dibenzylbenzene-1,2-diamine has a molecular weight of 288.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibenzylbenzene-1,2-diamine is sourced from PubChem (CID 23459358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).