N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine

C20H22ClN3 — CID 71575835

IUPACN'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C20H22ClN3/c1-23(2)13-14-24(15-16-7-10-18(21)11-8-16)20-12-9-17-5-3-4-6-19(17)22-20/h3-12H,13-15H2,1-2H3
InChIKeyKIEHHWYHOAHUOZ-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.46
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine

N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine (PubChem CID 71575835) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine
PubChem CID71575835
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC NameN'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C20H22ClN3/c1-23(2)13-14-24(15-16-7-10-18(21)11-8-16)20-12-9-17-5-3-4-6-19(17)22-20/h3-12H,13-15H2,1-2H3
InChIKeyKIEHHWYHOAHUOZ-UHFFFAOYSA-N
XLogP4.46
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine (CID 71575835) is N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine is CN(C)CCN(Cc1ccc(Cl)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine?
The InChIKey is KIEHHWYHOAHUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3/c1-23(2)13-14-24(15-16-7-10-18(21)11-8-16)20-12-9-17-5-3-4-6-19(17)22-20/h3-12H,13-15H2,1-2H3.
What are the key properties of N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine?
N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine has a molecular weight of 339.87 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-quinolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 71575835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).