1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine

C15H25NO3 — CID 102696299

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
SMILESCCC(NCC(C)OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-13(16-10-11(2)17-3)12-7-8-14(18-4)15(9-12)19-5/h7-9,11,13,16H,6,10H2,1-5H3
InChIKeyURRPGKMTODIADG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds8

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

1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine (PubChem CID 102696299) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
PubChem CID102696299
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
SMILESCCC(NCC(C)OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-6-13(16-10-11(2)17-3)12-7-8-14(18-4)15(9-12)19-5/h7-9,11,13,16H,6,10H2,1-5H3
InChIKeyURRPGKMTODIADG-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636259
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
3-[1-(3,4-dimethoxyphenyl)propylamino]propanenitrile
CID 43207726
N-[1-(3,4-dimethoxyphenyl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115725943
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine (CID 102696299) is 1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine is CCC(NCC(C)OC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine?
The InChIKey is URRPGKMTODIADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-13(16-10-11(2)17-3)12-7-8-14(18-4)15(9-12)19-5/h7-9,11,13,16H,6,10H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine is sourced from PubChem (CID 102696299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).