4,5-dichloro-2-(3-ethoxypropoxy)aniline

C11H15Cl2NO2 — CID 107497934

IUPAC4,5-dichloro-2-(3-ethoxypropoxy)aniline
SMILESCCOCCCOc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C11H15Cl2NO2/c1-2-15-4-3-5-16-11-7-9(13)8(12)6-10(11)14/h6-7H,2-5,14H2,1H3
InChIKeyQEQSYVXIDQDSED-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.38
Rot. Bonds6

About 4,5-dichloro-2-(3-ethoxypropoxy)aniline

4,5-dichloro-2-(3-ethoxypropoxy)aniline (PubChem CID 107497934) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 4,5-dichloro-2-(3-ethoxypropoxy)aniline.

Molecular Properties

Compound Name4,5-dichloro-2-(3-ethoxypropoxy)aniline
PubChem CID107497934
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name4,5-dichloro-2-(3-ethoxypropoxy)aniline
SMILESCCOCCCOc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C11H15Cl2NO2/c1-2-15-4-3-5-16-11-7-9(13)8(12)6-10(11)14/h6-7H,2-5,14H2,1H3
InChIKeyQEQSYVXIDQDSED-UHFFFAOYSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(2-amino-4,5-dichlorophenoxy)hexanoate
CID 107498507
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
methyl 4-amino-3-(3-ethoxypropoxy)benzoate
CID 65180377
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
1-[3-chloro-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65180611
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
4-(3-ethoxypropoxy)-3-methoxyaniline
CID 65176717
2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline
CID 66100153
5-chloro-2-[3-(dimethylamino)propoxy]-4-fluoroaniline
CID 66078492
4-butoxy-2-chloro-5-methylaniline
CID 115555294
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(3-ethoxypropoxy)aniline?
The IUPAC name of 4,5-dichloro-2-(3-ethoxypropoxy)aniline (CID 107497934) is 4,5-dichloro-2-(3-ethoxypropoxy)aniline.
What is the SMILES notation for 4,5-dichloro-2-(3-ethoxypropoxy)aniline?
The canonical SMILES for 4,5-dichloro-2-(3-ethoxypropoxy)aniline is CCOCCCOc1cc(Cl)c(Cl)cc1N.
What is the InChIKey of 4,5-dichloro-2-(3-ethoxypropoxy)aniline?
The InChIKey is QEQSYVXIDQDSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-2-15-4-3-5-16-11-7-9(13)8(12)6-10(11)14/h6-7H,2-5,14H2,1H3.
What are the key properties of 4,5-dichloro-2-(3-ethoxypropoxy)aniline?
4,5-dichloro-2-(3-ethoxypropoxy)aniline has a molecular weight of 264.15 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(3-ethoxypropoxy)aniline is sourced from PubChem (CID 107497934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).