1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine

C16H27NO2 — CID 43496064

IUPAC1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-6-9-17-15(10-12(2)3)14-8-7-13(18-4)11-16(14)19-5/h7-8,11-12,15,17H,6,9-10H2,1-5H3
InChIKeyRSLUDQKGRJCNGY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.79
Rot. Bonds8

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

1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 43496064) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
PubChem CID43496064
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-6-9-17-15(10-12(2)3)14-8-7-13(18-4)11-16(14)19-5/h7-8,11-12,15,17H,6,9-10H2,1-5H3
InChIKeyRSLUDQKGRJCNGY-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
N-[1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656011
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
CID 105006124
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2,4-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034068
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine (CID 43496064) is 1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is RSLUDQKGRJCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-9-17-15(10-12(2)3)14-8-7-13(18-4)11-16(14)19-5/h7-8,11-12,15,17H,6,9-10H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine?
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 43496064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).