1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine

C14H23NO3 — CID 105190249

IUPAC1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cccc(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-15-12(8-6-10-16-2)11-7-5-9-13(17-3)14(11)18-4/h5,7,9,12,15H,6,8,10H2,1-4H3
InChIKeyWCTHOLWKKOOSBT-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.39
Rot. Bonds8

About 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine

1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 105190249) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine
PubChem CID105190249
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cccc(OC)c1OC
InChIInChI=1S/C14H23NO3/c1-15-12(8-6-10-16-2)11-7-5-9-13(17-3)14(11)18-4/h5,7,9,12,15H,6,8,10H2,1-4H3
InChIKeyWCTHOLWKKOOSBT-UHFFFAOYSA-N
XLogP2.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 105094223
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511
1-(3-bromo-2-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055045
1-(3-bromo-2-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 106645629
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
CID 105174760
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine
CID 105225087
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine (CID 105190249) is 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine is CNC(CCCOC)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is WCTHOLWKKOOSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-15-12(8-6-10-16-2)11-7-5-9-13(17-3)14(11)18-4/h5,7,9,12,15H,6,8,10H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine?
1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 105190249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).