2-(3-methoxypropoxy)-4-methylaniline

C11H17NO2 — CID 26189547

IUPAC2-(3-methoxypropoxy)-4-methylaniline
SMILESCOCCCOc1cc(C)ccc1N
InChIInChI=1S/C11H17NO2/c1-9-4-5-10(12)11(8-9)14-7-3-6-13-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyLXLWBSKDDGKTII-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.99
Rot. Bonds5

About 2-(3-methoxypropoxy)-4-methylaniline

2-(3-methoxypropoxy)-4-methylaniline (PubChem CID 26189547) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-4-methylaniline.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-4-methylaniline
PubChem CID26189547
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(3-methoxypropoxy)-4-methylaniline
SMILESCOCCCOc1cc(C)ccc1N
InChIInChI=1S/C11H17NO2/c1-9-4-5-10(12)11(8-9)14-7-3-6-13-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyLXLWBSKDDGKTII-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.99
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

4-methyl-2-propoxyaniline
CID 24698653
2-(3-methoxypropoxy)-4-methylphenol
CID 59224290
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
2-(fluoromethoxy)-4-methylaniline
CID 123529275
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
CID 89075678
2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
CID 39452119
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-4-methylaniline?
The IUPAC name of 2-(3-methoxypropoxy)-4-methylaniline (CID 26189547) is 2-(3-methoxypropoxy)-4-methylaniline.
What is the SMILES notation for 2-(3-methoxypropoxy)-4-methylaniline?
The canonical SMILES for 2-(3-methoxypropoxy)-4-methylaniline is COCCCOc1cc(C)ccc1N.
What is the InChIKey of 2-(3-methoxypropoxy)-4-methylaniline?
The InChIKey is LXLWBSKDDGKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-4-5-10(12)11(8-9)14-7-3-6-13-2/h4-5,8H,3,6-7,12H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)-4-methylaniline?
2-(3-methoxypropoxy)-4-methylaniline has a molecular weight of 195.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-4-methylaniline is sourced from PubChem (CID 26189547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).