4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline

C13H22N2O2 — CID 61427012

IUPAC4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
SMILESCOCCN(C)CCCOc1ccc(N)cc1
InChIInChI=1S/C13H22N2O2/c1-15(9-11-16-2)8-3-10-17-13-6-4-12(14)5-7-13/h4-7H,3,8-11,14H2,1-2H3
InChIKeyIRXPBGDNKLTRLX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.62
Rot. Bonds8

About 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline

4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline (PubChem CID 61427012) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline.

Molecular Properties

Compound Name4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
PubChem CID61427012
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline
SMILESCOCCN(C)CCCOc1ccc(N)cc1
InChIInChI=1S/C13H22N2O2/c1-15(9-11-16-2)8-3-10-17-13-6-4-12(14)5-7-13/h4-7H,3,8-11,14H2,1-2H3
InChIKeyIRXPBGDNKLTRLX-UHFFFAOYSA-N
XLogP1.62
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-[3-methoxypropyl(methyl)amino]propoxy]aniline
CID 55141452
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
CID 114243002
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 61427149
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline?
The IUPAC name of 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline (CID 61427012) is 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline.
What is the SMILES notation for 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline?
The canonical SMILES for 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline is COCCN(C)CCCOc1ccc(N)cc1.
What is the InChIKey of 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline?
The InChIKey is IRXPBGDNKLTRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(9-11-16-2)8-3-10-17-13-6-4-12(14)5-7-13/h4-7H,3,8-11,14H2,1-2H3.
What are the key properties of 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline?
4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline has a molecular weight of 238.33 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-methoxyethyl(methyl)amino]propoxy]aniline is sourced from PubChem (CID 61427012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).