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

C12H19NO3 — CID 60918283

IUPAC2-[2-(3-methoxypropoxy)ethoxy]aniline
SMILESCOCCCOCCOc1ccccc1N
InChIInChI=1S/C12H19NO3/c1-14-7-4-8-15-9-10-16-12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10,13H2,1H3
InChIKeyCSDODXLLNFYPTO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.70
Rot. Bonds8

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

2-[2-(3-methoxypropoxy)ethoxy]aniline (PubChem CID 60918283) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]aniline
PubChem CID60918283
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]aniline
SMILESCOCCCOCCOc1ccccc1N
InChIInChI=1S/C12H19NO3/c1-14-7-4-8-15-9-10-16-12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10,13H2,1H3
InChIKeyCSDODXLLNFYPTO-UHFFFAOYSA-N
XLogP1.70
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.70
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

2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
3-[2-[2-(3-methoxypropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 103181830
2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 54936297
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
[2-bromo-6-[2-(3-methoxypropoxy)ethoxy]phenyl]methanamine
CID 103176691
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]aniline?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]aniline (CID 60918283) is 2-[2-(3-methoxypropoxy)ethoxy]aniline.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]aniline?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]aniline is COCCCOCCOc1ccccc1N.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]aniline?
The InChIKey is CSDODXLLNFYPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-14-7-4-8-15-9-10-16-12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10,13H2,1H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]aniline?
2-[2-(3-methoxypropoxy)ethoxy]aniline has a molecular weight of 225.29 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxy]aniline is sourced from PubChem (CID 60918283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).