1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine

C14H14Cl2N2 — CID 170894456

IUPAC1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H14Cl2N2/c15-12-5-11(6-13(16)7-12)9-1-3-10(4-2-9)14(18)8-17/h1-7,14H,8,17-18H2
InChIKeyFQVNTJNFRWFHLD-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.62
Rot. Bonds3

About 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine

1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine (PubChem CID 170894456) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine
PubChem CID170894456
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H14Cl2N2/c15-12-5-11(6-13(16)7-12)9-1-3-10(4-2-9)14(18)8-17/h1-7,14H,8,17-18H2
InChIKeyFQVNTJNFRWFHLD-UHFFFAOYSA-N
XLogP3.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine (CID 170894456) is 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine is NCC(N)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine?
The InChIKey is FQVNTJNFRWFHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-12-5-11(6-13(16)7-12)9-1-3-10(4-2-9)14(18)8-17/h1-7,14H,8,17-18H2.
What are the key properties of 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine?
1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine has a molecular weight of 281.19 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 170894456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).