5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline

C12H18ClNO3 — CID 103176787

IUPAC5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
SMILESCOCCCOCCOc1ccc(Cl)cc1N
InChIInChI=1S/C12H18ClNO3/c1-15-5-2-6-16-7-8-17-12-4-3-10(13)9-11(12)14/h3-4,9H,2,5-8,14H2,1H3
InChIKeyCTARGMVILBZBOS-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.35
Rot. Bonds8

About 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline

5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline (PubChem CID 103176787) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
PubChem CID103176787
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
SMILESCOCCCOCCOc1ccc(Cl)cc1N
InChIInChI=1S/C12H18ClNO3/c1-15-5-2-6-16-7-8-17-12-4-3-10(13)9-11(12)14/h3-4,9H,2,5-8,14H2,1H3
InChIKeyCTARGMVILBZBOS-UHFFFAOYSA-N
XLogP2.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-chloro-2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177687
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
CID 103177693
5-chloro-2-decoxyaniline
CID 55187694
1-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103411518
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
3-bromo-5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103177316
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline?
The IUPAC name of 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline (CID 103176787) is 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline.
What is the SMILES notation for 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline?
The canonical SMILES for 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline is COCCCOCCOc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline?
The InChIKey is CTARGMVILBZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-15-5-2-6-16-7-8-17-12-4-3-10(13)9-11(12)14/h3-4,9H,2,5-8,14H2,1H3.
What are the key properties of 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline?
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline has a molecular weight of 259.73 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline is sourced from PubChem (CID 103176787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).