1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine

C14H14Cl2N2 — CID 65380315

IUPAC1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
SMILESNCC(Nc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c15-11-6-10(7-12(16)8-11)14(9-17)18-13-4-2-1-3-5-13/h1-8,14,18H,9,17H2
InChIKeyBUGBTOOERVSXLJ-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.11
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine

1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine (PubChem CID 65380315) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
PubChem CID65380315
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
SMILESNCC(Nc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c15-11-6-10(7-12(16)8-11)14(9-17)18-13-4-2-1-3-5-13/h1-8,14,18H,9,17H2
InChIKeyBUGBTOOERVSXLJ-UHFFFAOYSA-N
XLogP4.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine (CID 65380315) is 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine is NCC(Nc1ccccc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine?
The InChIKey is BUGBTOOERVSXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-11-6-10(7-12(16)8-11)14(9-17)18-13-4-2-1-3-5-13/h1-8,14,18H,9,17H2.
What are the key properties of 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine?
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine has a molecular weight of 281.19 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 65380315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).