N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine

C17H23NO2 — CID 114819986

IUPACN-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CCOC)cc1)c1coc(C)c1
InChIInChI=1S/C17H23NO2/c1-4-18-17(16-11-13(2)20-12-16)15-7-5-14(6-8-15)9-10-19-3/h5-8,11-12,17-18H,4,9-10H2,1-3H3
InChIKeyYRCRAPQRQGNRLF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.48
Rot. Bonds7

About N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine

N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine (PubChem CID 114819986) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine
PubChem CID114819986
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CCOC)cc1)c1coc(C)c1
InChIInChI=1S/C17H23NO2/c1-4-18-17(16-11-13(2)20-12-16)15-7-5-14(6-8-15)9-10-19-3/h5-8,11-12,17-18H,4,9-10H2,1-3H3
InChIKeyYRCRAPQRQGNRLF-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489761
N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 107960737
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
CID 105055011
N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43489783
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105026071
4-[chloro-(4-propylphenyl)methyl]-2-methylfuran
CID 114822429
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine (CID 114819986) is N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine is CCNC(c1ccc(CCOC)cc1)c1coc(C)c1.
What is the InChIKey of N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is YRCRAPQRQGNRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-18-17(16-11-13(2)20-12-16)15-7-5-14(6-8-15)9-10-19-3/h5-8,11-12,17-18H,4,9-10H2,1-3H3.
What are the key properties of N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine?
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 114819986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).