2,5-dichloro-N-(3,3-diethoxypropyl)aniline

C13H19Cl2NO2 — CID 81093702

IUPAC2,5-dichloro-N-(3,3-diethoxypropyl)aniline
SMILESCCOC(CCNc1cc(Cl)ccc1Cl)OCC
InChIInChI=1S/C13H19Cl2NO2/c1-3-17-13(18-4-2)7-8-16-12-9-10(14)5-6-11(12)15/h5-6,9,13,16H,3-4,7-8H2,1-2H3
InChIKeyCHJJLSHCICHHQE-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.19
Rot. Bonds8

About 2,5-dichloro-N-(3,3-diethoxypropyl)aniline

2,5-dichloro-N-(3,3-diethoxypropyl)aniline (PubChem CID 81093702) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,3-diethoxypropyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(3,3-diethoxypropyl)aniline
PubChem CID81093702
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name2,5-dichloro-N-(3,3-diethoxypropyl)aniline
SMILESCCOC(CCNc1cc(Cl)ccc1Cl)OCC
InChIInChI=1S/C13H19Cl2NO2/c1-3-17-13(18-4-2)7-8-16-12-9-10(14)5-6-11(12)15/h5-6,9,13,16H,3-4,7-8H2,1-2H3
InChIKeyCHJJLSHCICHHQE-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3,3-diethoxypropyl)-2-(trifluoromethyl)aniline
CID 81094870
2-chloro-N-(3,3-diethoxypropyl)-4-fluoroaniline
CID 81094478
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
2,4-dichloro-N-(2,2-diethoxyethyl)aniline
CID 81093226
4-bromo-N-(3,3-diethoxypropyl)-2-fluoroaniline
CID 81093558
2,5-dichloro-N-(3,3-dimethylbutyl)aniline
CID 63418303
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809748
2-chloro-4-(3,3-diethoxypropylamino)benzonitrile
CID 81093718
N-(3,3-diethoxypropyl)-4-fluoro-2-methylaniline
CID 81095045
4-bromo-N-(3,3-diethoxypropyl)-2-methylaniline
CID 81093406
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,3-diethoxypropyl)aniline?
The IUPAC name of 2,5-dichloro-N-(3,3-diethoxypropyl)aniline (CID 81093702) is 2,5-dichloro-N-(3,3-diethoxypropyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(3,3-diethoxypropyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(3,3-diethoxypropyl)aniline is CCOC(CCNc1cc(Cl)ccc1Cl)OCC.
What is the InChIKey of 2,5-dichloro-N-(3,3-diethoxypropyl)aniline?
The InChIKey is CHJJLSHCICHHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-3-17-13(18-4-2)7-8-16-12-9-10(14)5-6-11(12)15/h5-6,9,13,16H,3-4,7-8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(3,3-diethoxypropyl)aniline?
2,5-dichloro-N-(3,3-diethoxypropyl)aniline has a molecular weight of 292.21 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,3-diethoxypropyl)aniline is sourced from PubChem (CID 81093702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).