N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid

C16H19NO6 — CID 126477756

IUPACN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
SMILESCOc1ccc(CCNCc2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C14H17NO2.C2H2O4/c1-16-13-6-4-12(5-7-13)8-9-15-11-14-3-2-10-17-14;3-1(4)2(5)6/h2-7,10,15H,8-9,11H2,1H3;(H,3,4)(H,5,6)
InChIKeyAREIBAFOJZYAGE-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.78
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid (PubChem CID 126477756) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
PubChem CID126477756
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
SMILESCOc1ccc(CCNCc2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C14H17NO2.C2H2O4/c1-16-13-6-4-12(5-7-13)8-9-15-11-14-3-2-10-17-14;3-1(4)2(5)6/h2-7,10,15H,8-9,11H2,1H3;(H,3,4)(H,5,6)
InChIKeyAREIBAFOJZYAGE-UHFFFAOYSA-N
XLogP1.78
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
CID 91969457
6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109097100
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952
2-(furan-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 43395395
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109255066
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108863313
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
CID 54884386
5-[[2-(4-methoxyphenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103232742
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109279490
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109231482
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid (CID 126477756) is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid is COc1ccc(CCNCc2ccco2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid?
The InChIKey is AREIBAFOJZYAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C2H2O4/c1-16-13-6-4-12(5-7-13)8-9-15-11-14-3-2-10-17-14;3-1(4)2(5)6/h2-7,10,15H,8-9,11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid?
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid has a molecular weight of 321.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid is sourced from PubChem (CID 126477756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).