N,N'-Diphenylethylenediamine

C14H16N2 — CID 67422

IUPACN,N'-diphenylethane-1,2-diamine
SMILESC1=CC=C(C=C1)NCCNC2=CC=CC=C2
InChIInChI=1S/C14H16N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyNOUUUQMKVOUUNR-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.60
Rot. Bonds5

About N,N'-Diphenylethylenediamine

N,N'-Diphenylethylenediamine (PubChem CID 67422) has the molecular formula C14H16N2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N,N'-diphenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-Diphenylethylenediamine
PubChem CID67422
Molecular FormulaC14H16N2
Molecular Weight212.29 g/mol
Exact Mass212.13
IUPAC NameN,N'-diphenylethane-1,2-diamine
SMILESC1=CC=C(C=C1)NCCNC2=CC=CC=C2
InChIInChI=1S/C14H16N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyNOUUUQMKVOUUNR-UHFFFAOYSA-N
XLogP3.60
TPSA24.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity150

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenylamine
CID 11487
N,N'-Diphenyl-P-Phenylenediamine
CID 6319
N-Phenyl-p-phenylenediamine
CID 7564
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Methylaniline
CID 7515
N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911

Frequently Asked Questions

What is the IUPAC name of N,N'-Diphenylethylenediamine?
The IUPAC name of N,N'-Diphenylethylenediamine (CID 67422) is N,N'-diphenylethane-1,2-diamine.
What is the SMILES notation for N,N'-Diphenylethylenediamine?
The canonical SMILES for N,N'-Diphenylethylenediamine is C1=CC=C(C=C1)NCCNC2=CC=CC=C2.
What is the InChIKey of N,N'-Diphenylethylenediamine?
The InChIKey is NOUUUQMKVOUUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of N,N'-Diphenylethylenediamine?
N,N'-Diphenylethylenediamine has a molecular weight of 212.29 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-Diphenylethylenediamine is sourced from PubChem (CID 67422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).