N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride

C20H24ClN3 — CID 120912617

IUPACN'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1cnc2ccccc2c1
InChIInChI=1S/C20H23N3.ClH/c21-11-13-23(12-10-17-6-2-1-3-7-17)16-18-14-19-8-4-5-9-20(19)22-15-18;/h1-9,14-15H,10-13,16,21H2;1H
InChIKeyIFHNMOPYFDAPED-UHFFFAOYSA-N
MW341.89 g/mol
LogP3.66
Rot. Bonds7

About N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride

N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120912617) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
PubChem CID120912617
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC NameN'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1cnc2ccccc2c1
InChIInChI=1S/C20H23N3.ClH/c21-11-13-23(12-10-17-6-2-1-3-7-17)16-18-14-19-8-4-5-9-20(19)22-15-18;/h1-9,14-15H,10-13,16,21H2;1H
InChIKeyIFHNMOPYFDAPED-UHFFFAOYSA-N
XLogP3.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-quinolin-3-ylethanamine;hydrochloride
CID 68724239
N'-[(6-fluoroquinolin-8-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912960
N'-[(1-methylbenzimidazol-5-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912918
N'-(2-phenylethyl)-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine;hydrochloride
CID 120912991
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-(quinolin-3-ylmethyl)methanamine
CID 3700701
N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 120871869
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912737
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144
N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871833
N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912684
N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120872561

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride (CID 120912617) is N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride is Cl.NCCN(CCc1ccccc1)Cc1cnc2ccccc2c1.
What is the InChIKey of N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is IFHNMOPYFDAPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3.ClH/c21-11-13-23(12-10-17-6-2-1-3-7-17)16-18-14-19-8-4-5-9-20(19)22-15-18;/h1-9,14-15H,10-13,16,21H2;1H.
What are the key properties of N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride?
N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 341.89 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120912617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).