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

C13H21NO2 — CID 79018777

IUPAC3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine
SMILESCNCCC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO2/c1-10(7-8-14-2)12-6-5-11(15-3)9-13(12)16-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyVMPVNMXRBHPRRJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.42
Rot. Bonds6

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

3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine (PubChem CID 79018777) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine
PubChem CID79018777
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine
SMILESCNCCC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO2/c1-10(7-8-14-2)12-6-5-11(15-3)9-13(12)16-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyVMPVNMXRBHPRRJ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
3-(2,4-dimethoxyphenyl)butanal
CID 83834095
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81016741
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945878
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine
CID 79298936

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine (CID 79018777) is 3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine is CNCCC(C)c1ccc(OC)cc1OC.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is VMPVNMXRBHPRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(7-8-14-2)12-6-5-11(15-3)9-13(12)16-4/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine?
3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 79018777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).