N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine

C16H21NO3 — CID 104790226

IUPACN-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cc(OC)c1)c1ccoc1C
InChIInChI=1S/C16H21NO3/c1-5-17-16(15-6-7-20-11(15)2)12-8-13(18-3)10-14(9-12)19-4/h6-10,16-17H,5H2,1-4H3
InChIKeyIWHRQKFVCDMEAT-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.30
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine

N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine (PubChem CID 104790226) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
PubChem CID104790226
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cc(OC)c1)c1ccoc1C
InChIInChI=1S/C16H21NO3/c1-5-17-16(15-6-7-20-11(15)2)12-8-13(18-3)10-14(9-12)19-4/h6-10,16-17H,5H2,1-4H3
InChIKeyIWHRQKFVCDMEAT-UHFFFAOYSA-N
XLogP3.30
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylfuran-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 104790245
N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
CID 104790228
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine
CID 43482991
N-[(3-bromo-4-propoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104658044
N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102755153
N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453376
N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790174
N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453401
N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858558
N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine
CID 61026469

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine (CID 104790226) is N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine is CCNC(c1cc(OC)cc(OC)c1)c1ccoc1C.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is IWHRQKFVCDMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-5-17-16(15-6-7-20-11(15)2)12-8-13(18-3)10-14(9-12)19-4/h6-10,16-17H,5H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 104790226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).