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

C16H21NO3 — CID 43200433

IUPAC1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccco1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21NO3/c1-4-14(17-11-13-6-5-9-20-13)12-7-8-15(18-2)16(10-12)19-3/h5-10,14,17H,4,11H2,1-3H3
InChIKeyOUGRAIZTWSESMY-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.54
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 43200433) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID43200433
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccco1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21NO3/c1-4-14(17-11-13-6-5-9-20-13)12-7-8-15(18-2)16(10-12)19-3/h5-10,14,17H,4,11H2,1-3H3
InChIKeyOUGRAIZTWSESMY-UHFFFAOYSA-N
XLogP3.54
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83175883
[1-(3,4-dimethoxyphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105192204
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81391321
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43754954
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
N-ethyl-2-(furan-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
CID 83183271
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
N-(furan-2-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43514878
2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313778

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine (CID 43200433) is 1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine is CCC(NCc1ccco1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is OUGRAIZTWSESMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-14(17-11-13-6-5-9-20-13)12-7-8-15(18-2)16(10-12)19-3/h5-10,14,17H,4,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.54, 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-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 43200433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).