2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine

C15H16Cl2N2O — CID 106890306

IUPAC2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
SMILESCCCOc1ccc(Nc2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O/c1-2-7-20-12-5-3-11(4-6-12)19-15-13(16)8-10(18)9-14(15)17/h3-6,8-9,19H,2,7,18H2,1H3
InChIKeyPUMNUXNSUBTQHL-UHFFFAOYSA-N
MW311.21 g/mol
LogP5.11
Rot. Bonds5

About 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine

2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine (PubChem CID 106890306) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
PubChem CID106890306
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
SMILESCCCOc1ccc(Nc2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O/c1-2-7-20-12-5-3-11(4-6-12)19-15-13(16)8-10(18)9-14(15)17/h3-6,8-9,19H,2,7,18H2,1H3
InChIKeyPUMNUXNSUBTQHL-UHFFFAOYSA-N
XLogP5.11
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.21
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 62329507
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723
2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
CID 106889893
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304
5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine
CID 80826861
3-N-(2-chloro-4-methylphenyl)-5-propoxybenzene-1,3-diamine
CID 80721829
2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
CID 80825854
3-N-(3,5-dichloro-4-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 107571590
N-(4-amino-2-chlorophenyl)-4-propoxybenzamide
CID 100829816
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
CID 29066424

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine (CID 106890306) is 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine is CCCOc1ccc(Nc2c(Cl)cc(N)cc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine?
The InChIKey is PUMNUXNSUBTQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-2-7-20-12-5-3-11(4-6-12)19-15-13(16)8-10(18)9-14(15)17/h3-6,8-9,19H,2,7,18H2,1H3.
What are the key properties of 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine?
2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine has a molecular weight of 311.21 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 106890306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).