N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

C17H23NO2 — CID 105018314

IUPACN-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccccc1OC(C)C
InChIInChI=1S/C17H23NO2/c1-5-18-17(14-10-13(4)19-11-14)15-8-6-7-9-16(15)20-12(2)3/h6-12,17-18H,5H2,1-4H3
InChIKeyPMRUELPUCQMWBR-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.07
Rot. Bonds6

About N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine

N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 105018314) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID105018314
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1ccccc1OC(C)C
InChIInChI=1S/C17H23NO2/c1-5-18-17(14-10-13(4)19-11-14)15-8-6-7-9-16(15)20-12(2)3/h6-12,17-18H,5H2,1-4H3
InChIKeyPMRUELPUCQMWBR-UHFFFAOYSA-N
XLogP4.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115853566
N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106692741
N-[(4-methyl-3-pyridinyl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 114878306
N-[(2-methyl-1,3-thiazol-4-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105170940
N-[(2-cyclobutylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105052333
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-methyl-1-(5-methylfuran-3-yl)-1-(2-propoxyphenyl)methanamine
CID 105035753
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[(2,5-dibromo-4-methylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820382
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine (CID 105018314) is N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1coc(C)c1)c1ccccc1OC(C)C.
What is the InChIKey of N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is PMRUELPUCQMWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-18-17(14-10-13(4)19-11-14)15-8-6-7-9-16(15)20-12(2)3/h6-12,17-18H,5H2,1-4H3.
What are the key properties of N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105018314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).