1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine

C17H22N2O2 — CID 43204862

IUPAC1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccncc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-15(19-12-13-7-9-18-10-8-13)14-5-6-16(20-2)17(11-14)21-3/h5-11,15,19H,4,12H2,1-3H3
InChIKeyGUEDSOMYUGTUKT-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.34
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine

1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 43204862) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID43204862
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccncc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-15(19-12-13-7-9-18-10-8-13)14-5-6-16(20-2)17(11-14)21-3/h5-11,15,19H,4,12H2,1-3H3
InChIKeyGUEDSOMYUGTUKT-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63830557
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872955
2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
CID 110908334
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine (CID 43204862) is 1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine is CCC(NCc1ccncc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is GUEDSOMYUGTUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-15(19-12-13-7-9-18-10-8-13)14-5-6-16(20-2)17(11-14)21-3/h5-11,15,19H,4,12H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.34, 7 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-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43204862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).