1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine

C16H27NO3 — CID 116810739

IUPAC1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CC(C)OC)c1c(OC)cccc1OC
InChIInChI=1S/C16H27NO3/c1-6-10-17-13(11-12(2)18-3)16-14(19-4)8-7-9-15(16)20-5/h7-9,12-13,17H,6,10-11H2,1-5H3
InChIKeyQPFNSNKOUJDLMG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.17
Rot. Bonds9

About 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine

1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine (PubChem CID 116810739) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine
PubChem CID116810739
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CC(C)OC)c1c(OC)cccc1OC
InChIInChI=1S/C16H27NO3/c1-6-10-17-13(11-12(2)18-3)16-14(19-4)8-7-9-15(16)20-5/h7-9,12-13,17H,6,10-11H2,1-5H3
InChIKeyQPFNSNKOUJDLMG-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116810349
N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 105051943
1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 105052111
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 106693326
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 107129130

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine (CID 116810739) is 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine is CCCNC(CC(C)OC)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine?
The InChIKey is QPFNSNKOUJDLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-10-17-13(11-12(2)18-3)16-14(19-4)8-7-9-15(16)20-5/h7-9,12-13,17H,6,10-11H2,1-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine?
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 116810739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).