N,N'-bis(3-chlorophenyl)ethane-1,2-diamine

C14H14Cl2N2 — CID 14274750

IUPACN,N'-bis(3-chlorophenyl)ethane-1,2-diamine
SMILESClc1cccc(NCCNc2cccc(Cl)c2)c1
InChIInChI=1S/C14H14Cl2N2/c15-11-3-1-5-13(9-11)17-7-8-18-14-6-2-4-12(16)10-14/h1-6,9-10,17-18H,7-8H2
InChIKeyOKPDSJQSGDLGOF-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.52
Rot. Bonds5

About N,N'-bis(3-chlorophenyl)ethane-1,2-diamine

N,N'-bis(3-chlorophenyl)ethane-1,2-diamine (PubChem CID 14274750) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N,N'-bis(3-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(3-chlorophenyl)ethane-1,2-diamine
PubChem CID14274750
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN,N'-bis(3-chlorophenyl)ethane-1,2-diamine
SMILESClc1cccc(NCCNc2cccc(Cl)c2)c1
InChIInChI=1S/C14H14Cl2N2/c15-11-3-1-5-13(9-11)17-7-8-18-14-6-2-4-12(16)10-14/h1-6,9-10,17-18H,7-8H2
InChIKeyOKPDSJQSGDLGOF-UHFFFAOYSA-N
XLogP4.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54806317
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395
3-chloro-N-(2-methylsulfanylethyl)aniline
CID 62581736
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 62597642
4-(3-chloroanilino)butanamide
CID 67066977
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54806636
3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 55088823
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(3-chlorophenyl)ethane-1,2-diamine (CID 14274750) is N,N'-bis(3-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(3-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(3-chlorophenyl)ethane-1,2-diamine is Clc1cccc(NCCNc2cccc(Cl)c2)c1.
What is the InChIKey of N,N'-bis(3-chlorophenyl)ethane-1,2-diamine?
The InChIKey is OKPDSJQSGDLGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-11-3-1-5-13(9-11)17-7-8-18-14-6-2-4-12(16)10-14/h1-6,9-10,17-18H,7-8H2.
What are the key properties of N,N'-bis(3-chlorophenyl)ethane-1,2-diamine?
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine has a molecular weight of 281.19 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 14274750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).