4-(3-methoxypropoxy)-3-methylaniline

C11H17NO2 — CID 26190033

IUPAC4-(3-methoxypropoxy)-3-methylaniline
SMILESCOCCCOc1ccc(N)cc1C
InChIInChI=1S/C11H17NO2/c1-9-8-10(12)4-5-11(9)14-7-3-6-13-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyXCFDANGNWIXHEW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.99
Rot. Bonds5

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

4-(3-methoxypropoxy)-3-methylaniline (PubChem CID 26190033) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-3-methylaniline.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-3-methylaniline
PubChem CID26190033
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(3-methoxypropoxy)-3-methylaniline
SMILESCOCCCOc1ccc(N)cc1C
InChIInChI=1S/C11H17NO2/c1-9-8-10(12)4-5-11(9)14-7-3-6-13-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyXCFDANGNWIXHEW-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

3-methyl-4-(4,4,4-trifluorobutoxy)aniline
CID 115517821
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 113436823
4-(4-methoxybutoxy)-2,5-dimethylaniline
CID 104646777
4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine
CID 159131226
trifluoro-[4-(4-methoxybutoxy)-3-methylphenyl]boranuide
CID 104648209
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
3-methyl-4-[3-(2-propan-2-ylimidazol-2-yl)propoxy]aniline
CID 67106961
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
3-methyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43165621

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-3-methylaniline?
The IUPAC name of 4-(3-methoxypropoxy)-3-methylaniline (CID 26190033) is 4-(3-methoxypropoxy)-3-methylaniline.
What is the SMILES notation for 4-(3-methoxypropoxy)-3-methylaniline?
The canonical SMILES for 4-(3-methoxypropoxy)-3-methylaniline is COCCCOc1ccc(N)cc1C.
What is the InChIKey of 4-(3-methoxypropoxy)-3-methylaniline?
The InChIKey is XCFDANGNWIXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-8-10(12)4-5-11(9)14-7-3-6-13-2/h4-5,8H,3,6-7,12H2,1-2H3.
What are the key properties of 4-(3-methoxypropoxy)-3-methylaniline?
4-(3-methoxypropoxy)-3-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 4-(3-methoxypropoxy)-3-methylaniline is sourced from PubChem (CID 26190033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).