1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine

C15H15ClN2 — CID 142556397

IUPAC1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine
SMILESC=C(NCc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2/c1-12(17-11-13-5-3-2-4-6-13)18-15-9-7-14(16)8-10-15/h2-10,17-18H,1,11H2
InChIKeyRAEDIYASLBQWTC-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.01
Rot. Bonds5

About 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine

1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine (PubChem CID 142556397) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine
PubChem CID142556397
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine
SMILESC=C(NCc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2/c1-12(17-11-13-5-3-2-4-6-13)18-15-9-7-14(16)8-10-15/h2-10,17-18H,1,11H2
InChIKeyRAEDIYASLBQWTC-UHFFFAOYSA-N
XLogP4.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(benzylamino)-N-(4-chlorophenyl)but-2-enamide
CID 6346285
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113900
N-benzyl-4-chloroaniline chloride
CID 45109713
2-[4-[1-[(4-chlorophenyl)methylamino]ethenylamino]phenyl]-1-[(2R)-2-(hydroxymethyl)azetidin-1-yl]ethanone
CID 156825236
2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 2699169
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
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N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
1-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 3834758

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine?
The IUPAC name of 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine (CID 142556397) is 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine?
The canonical SMILES for 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine is C=C(NCc1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine?
The InChIKey is RAEDIYASLBQWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-12(17-11-13-5-3-2-4-6-13)18-15-9-7-14(16)8-10-15/h2-10,17-18H,1,11H2.
What are the key properties of 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine?
1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine has a molecular weight of 258.75 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine is sourced from PubChem (CID 142556397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).