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

C13H21NO2 — CID 43481153

IUPAC1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-5-6-11(14-2)10-7-8-12(15-3)13(9-10)16-4/h7-9,11,14H,5-6H2,1-4H3
InChIKeyAWMAWNJIMQGFBP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.76
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine (PubChem CID 43481153) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
PubChem CID43481153
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO2/c1-5-6-11(14-2)10-7-8-12(15-3)13(9-10)16-4/h7-9,11,14H,5-6H2,1-4H3
InChIKeyAWMAWNJIMQGFBP-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141261
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
CID 107763776
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
2-methoxy-5-[1-(methylamino)propyl]phenol
CID 83830986
1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine
CID 79411882

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine (CID 43481153) is 1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine is CCCC(NC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is AWMAWNJIMQGFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-6-11(14-2)10-7-8-12(15-3)13(9-10)16-4/h7-9,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine?
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.76, 6 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-methylbutan-1-amine is sourced from PubChem (CID 43481153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).