N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine

C16H21NO4 — CID 115607208

IUPACN-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)NCc2ccoc2)cc(OC)c1OC
InChIInChI=1S/C16H21NO4/c1-11(17-9-12-5-6-21-10-12)13-7-14(18-2)16(20-4)15(8-13)19-3/h5-8,10-11,17H,9H2,1-4H3
InChIKeyHQFDRGOFWUIGNV-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.16
Rot. Bonds7

About N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine

N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 115607208) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID115607208
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)NCc2ccoc2)cc(OC)c1OC
InChIInChI=1S/C16H21NO4/c1-11(17-9-12-5-6-21-10-12)13-7-14(18-2)16(20-4)15(8-13)19-3/h5-8,10-11,17H,9H2,1-4H3
InChIKeyHQFDRGOFWUIGNV-UHFFFAOYSA-N
XLogP3.16
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 115711465
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 105030112
N-(furan-3-ylmethyl)-1-phenylethanamine
CID 42773967
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine
CID 55180294
(1S)-N-[(3-iodo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 7390001
N-[(5-methyl-2-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 71969191
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 115607208) is N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc(C(C)NCc2ccoc2)cc(OC)c1OC.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is HQFDRGOFWUIGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(17-9-12-5-6-21-10-12)13-7-14(18-2)16(20-4)15(8-13)19-3/h5-8,10-11,17H,9H2,1-4H3.
What are the key properties of N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 291.35 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 115607208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).