3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline

C12H19NO3 — CID 81149767

IUPAC3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline
SMILESCOCC(C)OCc1cc(N)cc(OC)c1
InChIInChI=1S/C12H19NO3/c1-9(7-14-2)16-8-10-4-11(13)6-12(5-10)15-3/h4-6,9H,7-8,13H2,1-3H3
InChIKeyCEFRPYOAESTOED-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.83
Rot. Bonds6

About 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline

3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline (PubChem CID 81149767) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline.

Molecular Properties

Compound Name3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline
PubChem CID81149767
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline
SMILESCOCC(C)OCc1cc(N)cc(OC)c1
InChIInChI=1S/C12H19NO3/c1-9(7-14-2)16-8-10-4-11(13)6-12(5-10)15-3/h4-6,9H,7-8,13H2,1-3H3
InChIKeyCEFRPYOAESTOED-UHFFFAOYSA-N
XLogP1.83
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

butane;3-methoxy-5-(methoxymethyl)aniline
CID 67748962
3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
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3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 81150835
3-(fluoromethyl)-5-methoxyaniline
CID 90226418
3-methoxy-5-(2-methylbutan-2-yloxymethyl)aniline
CID 81149908
3-methoxy-5-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 81150413
3-(cyclopentyloxymethyl)-5-methoxyaniline
CID 81150187
3-(3-amino-5-methoxyphenyl)-2-methylpropanoic acid
CID 84676800
3-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]prop-2-yn-1-ol
CID 65323471
3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
CID 81145541
3-methoxy-5-[(4-methylsulfanylphenoxy)methyl]aniline
CID 81150277
4-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]but-3-yn-1-ol
CID 65322757

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline?
The IUPAC name of 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline (CID 81149767) is 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline.
What is the SMILES notation for 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline?
The canonical SMILES for 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline is COCC(C)OCc1cc(N)cc(OC)c1.
What is the InChIKey of 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline?
The InChIKey is CEFRPYOAESTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(7-14-2)16-8-10-4-11(13)6-12(5-10)15-3/h4-6,9H,7-8,13H2,1-3H3.
What are the key properties of 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline?
3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline has a molecular weight of 225.29 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline is sourced from PubChem (CID 81149767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).