N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline

C34H36N3P — CID 174847852

IUPACN',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline
SMILESNCCN(Cc1ccccc1)Cc1ccccc1.Nc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NP.C16H20N2/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-14H,19H2;1-10H,11-14,17H2
InChIKeyYHZLJXDHIXSYTO-UHFFFAOYSA-N
MW517.66 g/mol
LogP5.67
Rot. Bonds9

About N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline

N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline (PubChem CID 174847852) has the molecular formula C34H36N3P and a molecular weight of 517.66 g/mol. Its IUPAC name is N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline.

Molecular Properties

Compound NameN',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline
PubChem CID174847852
Molecular FormulaC34H36N3P
Molecular Weight517.66 g/mol
Exact Mass517.26
IUPAC NameN',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline
SMILESNCCN(Cc1ccccc1)Cc1ccccc1.Nc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16NP.C16H20N2/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-14H,19H2;1-10H,11-14,17H2
InChIKeyYHZLJXDHIXSYTO-UHFFFAOYSA-N
XLogP5.67
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.66
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanylaniline;ethane
CID 177151312
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
CID 61069966
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 61014687
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 106511670
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
3-[[2-aminoethyl(benzyl)amino]methyl]benzonitrile
CID 106511326

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline?
The IUPAC name of N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline (CID 174847852) is N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline.
What is the SMILES notation for N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline?
The canonical SMILES for N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline is NCCN(Cc1ccccc1)Cc1ccccc1.Nc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline?
The InChIKey is YHZLJXDHIXSYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NP.C16H20N2/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16;17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-14H,19H2;1-10H,11-14,17H2.
What are the key properties of N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline?
N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline has a molecular weight of 517.66 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline is sourced from PubChem (CID 174847852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).