N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine

C17H23NO2 — CID 62048598

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NCc2ccc(C)o2)cc1
InChIInChI=1S/C17H23NO2/c1-4-11-19-16-9-6-15(7-10-16)14(3)18-12-17-8-5-13(2)20-17/h5-10,14,18H,4,11-12H2,1-3H3
InChIKeyNBTWOEBRLCJDTJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.23
Rot. Bonds7

About N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine

N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine (PubChem CID 62048598) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
PubChem CID62048598
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NCc2ccc(C)o2)cc1
InChIInChI=1S/C17H23NO2/c1-4-11-19-16-9-6-15(7-10-16)14(3)18-12-17-8-5-13(2)20-17/h5-10,14,18H,4,11-12H2,1-3H3
InChIKeyNBTWOEBRLCJDTJ-UHFFFAOYSA-N
XLogP4.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119114919
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 93317247
N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62845690
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
CID 102696755
N,N-diethyl-4-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 47009059
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62523324
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine (CID 62048598) is N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(C)NCc2ccc(C)o2)cc1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
The InChIKey is NBTWOEBRLCJDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-11-19-16-9-6-15(7-10-16)14(3)18-12-17-8-5-13(2)20-17/h5-10,14,18H,4,11-12H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 62048598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).