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

C16H21ClN2 — CID 6460674

IUPACN',N'-dibenzylethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H20N2.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14,17H2;1H
InChIKeyJNUXLLGAZVAJMO-UHFFFAOYSA-N
MW276.81 g/mol
LogP3.07
Rot. Bonds6

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

N',N'-dibenzylethane-1,2-diamine;hydrochloride (PubChem CID 6460674) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is N',N'-dibenzylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN',N'-dibenzylethane-1,2-diamine;hydrochloride
PubChem CID6460674
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC NameN',N'-dibenzylethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H20N2.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14,17H2;1H
InChIKeyJNUXLLGAZVAJMO-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
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'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine
CID 130600119
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919
3-[[2-aminoethyl(benzyl)amino]methyl]benzonitrile
CID 106511326
N'-benzyl-N'-(2H-tetrazol-5-ylmethyl)ethane-1,2-diamine
CID 130589983
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N',N'-dibenzylethane-1,2-diamine;2-diphenylphosphanylaniline
CID 174847852

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzylethane-1,2-diamine;hydrochloride?
The IUPAC name of N',N'-dibenzylethane-1,2-diamine;hydrochloride (CID 6460674) is N',N'-dibenzylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N',N'-dibenzylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N',N'-dibenzylethane-1,2-diamine;hydrochloride is Cl.NCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzylethane-1,2-diamine;hydrochloride?
The InChIKey is JNUXLLGAZVAJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14,17H2;1H.
What are the key properties of N',N'-dibenzylethane-1,2-diamine;hydrochloride?
N',N'-dibenzylethane-1,2-diamine;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 6460674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).