ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate

C15H17NO4 — CID 106484801

IUPACethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COc1ccc(CN)cc1
InChIInChI=1S/C15H17NO4/c1-2-18-15(17)13-7-8-19-14(13)10-20-12-5-3-11(9-16)4-6-12/h3-8H,2,9-10,16H2,1H3
InChIKeyKXMIZGUNRAMHPN-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.49
Rot. Bonds6

About ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate

ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate (PubChem CID 106484801) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
PubChem CID106484801
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COc1ccc(CN)cc1
InChIInChI=1S/C15H17NO4/c1-2-18-15(17)13-7-8-19-14(13)10-20-12-5-3-11(9-16)4-6-12/h3-8H,2,9-10,16H2,1H3
InChIKeyKXMIZGUNRAMHPN-UHFFFAOYSA-N
XLogP2.49
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909106
ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate
CID 39903274
2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
CID 62550489
ethyl 2-(prop-2-ynoxymethyl)furan-3-carboxylate
CID 11298725
ethyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 39969066
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909153
2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830
2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 43419529
ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate
CID 16525393
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate (CID 106484801) is ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1COc1ccc(CN)cc1.
What is the InChIKey of ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate?
The InChIKey is KXMIZGUNRAMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-18-15(17)13-7-8-19-14(13)10-20-12-5-3-11(9-16)4-6-12/h3-8H,2,9-10,16H2,1H3.
What are the key properties of ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate?
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate is sourced from PubChem (CID 106484801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).