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

C15H25NO3 — CID 116810352

IUPAC1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1c(OC)cccc1OC
InChIInChI=1S/C15H25NO3/c1-5-10-16-12(9-11-17-2)15-13(18-3)7-6-8-14(15)19-4/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyPQCVUCPTWJZOIS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds9

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

1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 116810352) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
PubChem CID116810352
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1c(OC)cccc1OC
InChIInChI=1S/C15H25NO3/c1-5-10-16-12(9-11-17-2)15-13(18-3)7-6-8-14(15)19-4/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyPQCVUCPTWJZOIS-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116810349
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine
CID 116810739
N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 105051943
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352
1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 104806958
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 105052111

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine (CID 116810352) is 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine is CCCNC(CCOC)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is PQCVUCPTWJZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-10-16-12(9-11-17-2)15-13(18-3)7-6-8-14(15)19-4/h6-8,12,16H,5,9-11H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine?
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.78, 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-propylpropan-1-amine is sourced from PubChem (CID 116810352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).