N,N'-diphenylmethanediamine;ethane-1,2-diol

C15H20N2O2 — CID 160711297

IUPACN,N'-diphenylmethanediamine;ethane-1,2-diol
SMILESOCCO.c1ccc(NCNc2ccccc2)cc1
InChIInChI=1S/C13H14N2.C2H6O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;3-1-2-4/h1-10,14-15H,11H2;3-4H,1-2H2
InChIKeyRRWWXXWPODJQKL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.14
Rot. Bonds5

About N,N'-diphenylmethanediamine;ethane-1,2-diol

N,N'-diphenylmethanediamine;ethane-1,2-diol (PubChem CID 160711297) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N,N'-diphenylmethanediamine;ethane-1,2-diol.

Molecular Properties

Compound NameN,N'-diphenylmethanediamine;ethane-1,2-diol
PubChem CID160711297
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN,N'-diphenylmethanediamine;ethane-1,2-diol
SMILESOCCO.c1ccc(NCNc2ccccc2)cc1
InChIInChI=1S/C13H14N2.C2H6O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;3-1-2-4/h1-10,14-15H,11H2;3-4H,1-2H2
InChIKeyRRWWXXWPODJQKL-UHFFFAOYSA-N
XLogP2.14
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-iodophenyl)-N-phenylmethanediamine
CID 102159524
10-anilinodecan-1-ol
CID 10955954
2-anilinoethanol;dichlorocopper
CID 174762840
N'-(2-methylphenyl)-N-phenylmethanediamine
CID 14173164
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
N-benzyl-N'-phenylmethanediamine
CID 151589453
2-anilinoethanol;1,3-dihydroxypropan-2-one
CID 67927731
N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine
CID 88517859
3-anilinopropan-1-ol;phosphoric acid
CID 66984453
potassium;2-anilinoethanol;sulfuric acid;hydroxide
CID 67587133
N-(bromomethyl)aniline
CID 66636223
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842

Frequently Asked Questions

What is the IUPAC name of N,N'-diphenylmethanediamine;ethane-1,2-diol?
The IUPAC name of N,N'-diphenylmethanediamine;ethane-1,2-diol (CID 160711297) is N,N'-diphenylmethanediamine;ethane-1,2-diol.
What is the SMILES notation for N,N'-diphenylmethanediamine;ethane-1,2-diol?
The canonical SMILES for N,N'-diphenylmethanediamine;ethane-1,2-diol is OCCO.c1ccc(NCNc2ccccc2)cc1.
What is the InChIKey of N,N'-diphenylmethanediamine;ethane-1,2-diol?
The InChIKey is RRWWXXWPODJQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C2H6O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;3-1-2-4/h1-10,14-15H,11H2;3-4H,1-2H2.
What are the key properties of N,N'-diphenylmethanediamine;ethane-1,2-diol?
N,N'-diphenylmethanediamine;ethane-1,2-diol has a molecular weight of 260.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylmethanediamine;ethane-1,2-diol is sourced from PubChem (CID 160711297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).