1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine

C16H21NO3 — CID 83175883

IUPAC1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21NO3/c1-4-17-14(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
InChIKeyYWQYMDHHDMBRTE-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.19
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine

1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine (PubChem CID 83175883) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
PubChem CID83175883
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21NO3/c1-4-17-14(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
InChIKeyYWQYMDHHDMBRTE-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(furan-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
CID 83183271
[1-(3,4-dimethoxyphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105192204
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029493
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029421
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
N-ethyl-2-(furan-2-yl)-1-pyridin-4-ylethanamine
CID 83175492
1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81391321
N-ethyl-2-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105029616

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine (CID 83175883) is 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine is CCNC(Cc1ccco1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The InChIKey is YWQYMDHHDMBRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-17-14(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-ethyl-2-(furan-2-yl)ethanamine?
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.19, 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-ethyl-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 83175883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).