1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine

C17H29NO2 — CID 105052111

IUPAC1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1c(OC)cccc1OC)C(C)CCC
InChIInChI=1S/C17H29NO2/c1-6-9-13(3)17(18-12-7-2)16-14(19-4)10-8-11-15(16)20-5/h8,10-11,13,17-18H,6-7,9,12H2,1-5H3
InChIKeyXVRKSVDFTZPJTD-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds9

About 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine

1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine (PubChem CID 105052111) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
PubChem CID105052111
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1c(OC)cccc1OC)C(C)CCC
InChIInChI=1S/C17H29NO2/c1-6-9-13(3)17(18-12-7-2)16-14(19-4)10-8-11-15(16)20-5/h8,10-11,13,17-18H,6-7,9,12H2,1-5H3
InChIKeyXVRKSVDFTZPJTD-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 63502557
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-methoxy-N-propylbutan-1-amine
CID 116810739
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 114054565

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine (CID 105052111) is 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1c(OC)cccc1OC)C(C)CCC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is XVRKSVDFTZPJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-9-13(3)17(18-12-7-2)16-14(19-4)10-8-11-15(16)20-5/h8,10-11,13,17-18H,6-7,9,12H2,1-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine?
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 105052111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).