N'-(anilinomethyl)-N,N'-diphenylmethanediamine

C20H21N3 — CID 20668878

IUPACN'-(anilinomethyl)-N,N'-diphenylmethanediamine
SMILESc1ccc(NCN(CNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H21N3/c1-4-10-18(11-5-1)21-16-23(20-14-8-3-9-15-20)17-22-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2
InChIKeyZGFUBAMNLAHALR-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.63
Rot. Bonds7

About N'-(anilinomethyl)-N,N'-diphenylmethanediamine

N'-(anilinomethyl)-N,N'-diphenylmethanediamine (PubChem CID 20668878) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-(anilinomethyl)-N,N'-diphenylmethanediamine.

Molecular Properties

Compound NameN'-(anilinomethyl)-N,N'-diphenylmethanediamine
PubChem CID20668878
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC NameN'-(anilinomethyl)-N,N'-diphenylmethanediamine
SMILESc1ccc(NCN(CNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H21N3/c1-4-10-18(11-5-1)21-16-23(20-14-8-3-9-15-20)17-22-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2
InChIKeyZGFUBAMNLAHALR-UHFFFAOYSA-N
XLogP4.63
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(methylsulfanylmethyl)-N,N'-diphenylmethanediamine
CID 134969852
2-(N-[N-[2-[N-(anilinomethyl)anilino]ethyl]anilino]anilino)ethanol
CID 56974022
N'-butan-2-yl-N,N'-diphenylmethanediamine
CID 150607535
(E)-N,N'-diphenylbut-2-ene-1,4-diamine
CID 101288969
N-(2-iodoethyl)aniline
CID 11184197
N-(anilinomethyl)-N-methylacetamide
CID 102126839
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
1-ethyl-1,2-diphenylhydrazine
CID 12616656
N,N-diethylaniline
CID 7061
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N-(bromomethyl)aniline
CID 66636223
N-(silyloxymethyl)aniline
CID 123201342

Frequently Asked Questions

What is the IUPAC name of N'-(anilinomethyl)-N,N'-diphenylmethanediamine?
The IUPAC name of N'-(anilinomethyl)-N,N'-diphenylmethanediamine (CID 20668878) is N'-(anilinomethyl)-N,N'-diphenylmethanediamine.
What is the SMILES notation for N'-(anilinomethyl)-N,N'-diphenylmethanediamine?
The canonical SMILES for N'-(anilinomethyl)-N,N'-diphenylmethanediamine is c1ccc(NCN(CNc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-(anilinomethyl)-N,N'-diphenylmethanediamine?
The InChIKey is ZGFUBAMNLAHALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-4-10-18(11-5-1)21-16-23(20-14-8-3-9-15-20)17-22-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2.
What are the key properties of N'-(anilinomethyl)-N,N'-diphenylmethanediamine?
N'-(anilinomethyl)-N,N'-diphenylmethanediamine has a molecular weight of 303.41 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(anilinomethyl)-N,N'-diphenylmethanediamine is sourced from PubChem (CID 20668878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).