N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine

C20H24N4 — CID 88517859

IUPACN,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1N.c1ccc(NCNc2ccccc2)cc1
InChIInChI=1S/C13H14N2.C7H10N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-5-6(8)3-2-4-7(5)9/h1-10,14-15H,11H2;2-4H,8-9H2,1H3
InChIKeyWBWMVPTZJCXTFX-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.33
Rot. Bonds4

About N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine

N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine (PubChem CID 88517859) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine.

Molecular Properties

Compound NameN,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine
PubChem CID88517859
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine
SMILESCc1c(N)cccc1N.c1ccc(NCNc2ccccc2)cc1
InChIInChI=1S/C13H14N2.C7H10N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-5-6(8)3-2-4-7(5)9/h1-10,14-15H,11H2;2-4H,8-9H2,1H3
InChIKeyWBWMVPTZJCXTFX-UHFFFAOYSA-N
XLogP4.33
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine?
The IUPAC name of N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine (CID 88517859) is N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine.
What is the SMILES notation for N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine?
The canonical SMILES for N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine is Cc1c(N)cccc1N.c1ccc(NCNc2ccccc2)cc1.
What is the InChIKey of N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine?
The InChIKey is WBWMVPTZJCXTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C7H10N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-5-6(8)3-2-4-7(5)9/h1-10,14-15H,11H2;2-4H,8-9H2,1H3.
What are the key properties of N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine?
N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine has a molecular weight of 320.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine is sourced from PubChem (CID 88517859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).