[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine

C15H19NO3 — CID 62440838

IUPAC[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
SMILESCCOc1cccc(OCc2cc(C)c(CN)o2)c1
InChIInChI=1S/C15H19NO3/c1-3-17-12-5-4-6-13(8-12)18-10-14-7-11(2)15(9-16)19-14/h4-8H,3,9-10,16H2,1-2H3
InChIKeyQBELXPUVQIHNDL-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.02
Rot. Bonds6

About [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine

[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine (PubChem CID 62440838) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
PubChem CID62440838
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
SMILESCCOc1cccc(OCc2cc(C)c(CN)o2)c1
InChIInChI=1S/C15H19NO3/c1-3-17-12-5-4-6-13(8-12)18-10-14-7-11(2)15(9-16)19-14/h4-8H,3,9-10,16H2,1-2H3
InChIKeyQBELXPUVQIHNDL-UHFFFAOYSA-N
XLogP3.02
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine
CID 62445439
[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62783793
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858
1-[5-[(3-ethylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451776
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 107286140
[3-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-2-yl]methanamine
CID 55077682
[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62484281
[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114137
N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454694
[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methanamine
CID 82831775
[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117172174

Frequently Asked Questions

What is the IUPAC name of [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The IUPAC name of [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine (CID 62440838) is [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine.
What is the SMILES notation for [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The canonical SMILES for [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine is CCOc1cccc(OCc2cc(C)c(CN)o2)c1.
What is the InChIKey of [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The InChIKey is QBELXPUVQIHNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-17-12-5-4-6-13(8-12)18-10-14-7-11(2)15(9-16)19-14/h4-8H,3,9-10,16H2,1-2H3.
What are the key properties of [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine is sourced from PubChem (CID 62440838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).