N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine

C14H14Cl2N2 — CID 54806465

IUPACN'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
SMILESClc1ccc(NCCNc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10,17-18H,8-9H2
InChIKeyFGVXMOALYODBBX-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.52
Rot. Bonds5

About N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine

N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine (PubChem CID 54806465) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
PubChem CID54806465
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
SMILESClc1ccc(NCCNc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10,17-18H,8-9H2
InChIKeyFGVXMOALYODBBX-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-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
N-[2-(2,5-dichlorophenyl)ethyl]aniline
CID 63952494
2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline
CID 54795871
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
N-(5-bromopentyl)-2,4-dichloroaniline
CID 10804944
2,4-dichloro-N-decylaniline
CID 63489638
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 109034616
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773799
1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine (CID 54806465) is N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine is Clc1ccc(NCCNc2ccccc2)c(Cl)c1.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine?
The InChIKey is FGVXMOALYODBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10,17-18H,8-9H2.
What are the key properties of N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine?
N'-(2,4-dichlorophenyl)-N-phenylethane-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'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 54806465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).