[3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine

C14H17NO2 — CID 121004432

IUPAC[3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine
SMILESCCOc1ccccc1Cc1ccoc1CN
InChIInChI=1S/C14H17NO2/c1-2-16-13-6-4-3-5-11(13)9-12-7-8-17-14(12)10-15/h3-8H,2,9-10,15H2,1H3
InChIKeyBXFMXUAZCRSRJC-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.73
Rot. Bonds5

About [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine

[3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine (PubChem CID 121004432) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine
PubChem CID121004432
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name[3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine
SMILESCCOc1ccccc1Cc1ccoc1CN
InChIInChI=1S/C14H17NO2/c1-2-16-13-6-4-3-5-11(13)9-12-7-8-17-14(12)10-15/h3-8H,2,9-10,15H2,1H3
InChIKeyBXFMXUAZCRSRJC-UHFFFAOYSA-N
XLogP2.73
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine (CID 121004432) is [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine is CCOc1ccccc1Cc1ccoc1CN.
What is the InChIKey of [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine?
The InChIKey is BXFMXUAZCRSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-16-13-6-4-3-5-11(13)9-12-7-8-17-14(12)10-15/h3-8H,2,9-10,15H2,1H3.
What are the key properties of [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine?
[3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine has a molecular weight of 231.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethoxyphenyl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 121004432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).