N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride

C16H22Cl2N2 — CID 70443145

IUPACN'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2.2ClH/c17-11-12-18-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14;;/h1-10,16,18H,11-13,17H2;2*1H
InChIKeyJERKHHQRWPUMDT-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.36
Rot. Bonds6

About N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride

N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 70443145) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID70443145
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC NameN'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2.2ClH/c17-11-12-18-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14;;/h1-10,16,18H,11-13,17H2;2*1H
InChIKeyJERKHHQRWPUMDT-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoroethyl)-1,2-diphenylethanamine
CID 113247505
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
2-(1,2-diphenylethylamino)ethyl carbamate
CID 83191437
3-(2-aminoethylamino)-3-phenylpropanoic acid
CID 145335697
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
1,2-diphenyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 78826333
N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608
3-(1,2-diphenylethylamino)propane-1-sulfonic acid
CID 15086169
1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
CID 115720401
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827

Frequently Asked Questions

What is the IUPAC name of N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride (CID 70443145) is N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is JERKHHQRWPUMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.2ClH/c17-11-12-18-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14;;/h1-10,16,18H,11-13,17H2;2*1H.
What are the key properties of N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride?
N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 313.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 70443145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).