N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine

C17H20Cl2N2O — CID 54809748

IUPACN'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccccc1NCCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H20Cl2N2O/c1-12(2)22-17-6-4-3-5-15(17)20-9-10-21-16-11-13(18)7-8-14(16)19/h3-8,11-12,20-21H,9-10H2,1-2H3
InChIKeyDCODEIHRQUPBSH-UHFFFAOYSA-N
MW339.27 g/mol
LogP5.30
Rot. Bonds7

About N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine

N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54809748) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54809748
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC NameN'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccccc1NCCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H20Cl2N2O/c1-12(2)22-17-6-4-3-5-15(17)20-9-10-21-16-11-13(18)7-8-14(16)19/h3-8,11-12,20-21H,9-10H2,1-2H3
InChIKeyDCODEIHRQUPBSH-UHFFFAOYSA-N
XLogP5.30
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.27
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436
N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805651
N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
N-(2,3-dichlorophenyl)-N'-(2,5-dichlorophenyl)ethane-1,2-diamine
CID 54809670
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
2,5-dichloro-N-(3,3-diethoxypropyl)aniline
CID 81093702
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54809748) is N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is CC(C)Oc1ccccc1NCCNc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is DCODEIHRQUPBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c1-12(2)22-17-6-4-3-5-15(17)20-9-10-21-16-11-13(18)7-8-14(16)19/h3-8,11-12,20-21H,9-10H2,1-2H3.
What are the key properties of N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 339.27 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54809748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).