N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine

C21H28Cl2N2 — CID 69464489

IUPACN'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)c1ccc(Cc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C21H28Cl2N2/c1-4-24(5-2)13-14-25(6-3)19-12-11-18(21(23)16-19)15-17-9-7-8-10-20(17)22/h7-12,16H,4-6,13-15H2,1-3H3
InChIKeyICWWQELPVAAOAJ-UHFFFAOYSA-N
MW379.38 g/mol
LogP5.75
Rot. Bonds9

About N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine

N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine (PubChem CID 69464489) has the molecular formula C21H28Cl2N2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine
PubChem CID69464489
Molecular FormulaC21H28Cl2N2
Molecular Weight379.38 g/mol
Exact Mass378.16
IUPAC NameN'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)c1ccc(Cc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C21H28Cl2N2/c1-4-24(5-2)13-14-25(6-3)19-12-11-18(21(23)16-19)15-17-9-7-8-10-20(17)22/h7-12,16H,4-6,13-15H2,1-3H3
InChIKeyICWWQELPVAAOAJ-UHFFFAOYSA-N
XLogP5.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine?
The IUPAC name of N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine (CID 69464489) is N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine?
The canonical SMILES for N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine is CCN(CC)CCN(CC)c1ccc(Cc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine?
The InChIKey is ICWWQELPVAAOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28Cl2N2/c1-4-24(5-2)13-14-25(6-3)19-12-11-18(21(23)16-19)15-17-9-7-8-10-20(17)22/h7-12,16H,4-6,13-15H2,1-3H3.
What are the key properties of N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine?
N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine has a molecular weight of 379.38 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine is sourced from PubChem (CID 69464489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).