1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine

C15H25NO2 — CID 43494599

IUPAC1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-5-7-13(16-10-6-2)12-8-9-14(17-3)15(11-12)18-4/h8-9,11,13,16H,5-7,10H2,1-4H3
InChIKeyORTJWQONEPUBEI-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.54
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine

1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine (PubChem CID 43494599) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
PubChem CID43494599
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO2/c1-5-7-13(16-10-6-2)12-8-9-14(17-3)15(11-12)18-4/h8-9,11,13,16H,5-7,10H2,1-4H3
InChIKeyORTJWQONEPUBEI-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
1-(3-bromo-4-methoxyphenyl)-N-propylheptan-1-amine
CID 114752425

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine (CID 43494599) is 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine is CCCNC(CCC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine?
The InChIKey is ORTJWQONEPUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-7-13(16-10-6-2)12-8-9-14(17-3)15(11-12)18-4/h8-9,11,13,16H,5-7,10H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine?
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 43494599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).