1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine

C20H27NO4 — CID 57046449

IUPAC1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27NO4/c1-6-16(15-8-10-18(23-3)20(12-15)25-5)21-13-14-7-9-17(22-2)19(11-14)24-4/h7-12,16,21H,6,13H2,1-5H3
InChIKeyYOOKUWISROIYOS-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.96
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine

1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 57046449) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID57046449
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H27NO4/c1-6-16(15-8-10-18(23-3)20(12-15)25-5)21-13-14-7-9-17(22-2)19(11-14)24-4/h7-12,16,21H,6,13H2,1-5H3
InChIKeyYOOKUWISROIYOS-UHFFFAOYSA-N
XLogP3.96
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62048590
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
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872955

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine (CID 57046449) is 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine is CCC(NCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is YOOKUWISROIYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-6-16(15-8-10-18(23-3)20(12-15)25-5)21-13-14-7-9-17(22-2)19(11-14)24-4/h7-12,16,21H,6,13H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 345.44 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 57046449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).