1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid

C17H21NO7 — CID 171155021

IUPAC1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
SMILESCCOc1ccc(CNCc2ccco2)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C15H19NO3.C2H2O4/c1-3-18-14-7-6-12(9-15(14)17-2)10-16-11-13-5-4-8-19-13;3-1(4)2(5)6/h4-9,16H,3,10-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOQWXMFAQHMJYTN-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.13
Rot. Bonds7

About 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid

1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid (PubChem CID 171155021) has the molecular formula C17H21NO7 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
PubChem CID171155021
Molecular FormulaC17H21NO7
Molecular Weight351.36 g/mol
Exact Mass351.13
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
SMILESCCOc1ccc(CNCc2ccco2)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C15H19NO3.C2H2O4/c1-3-18-14-7-6-12(9-15(14)17-2)10-16-11-13-5-4-8-19-13;3-1(4)2(5)6/h4-9,16H,3,10-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyOQWXMFAQHMJYTN-UHFFFAOYSA-N
XLogP2.13
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
N-tert-butyl-2-[2-ethoxy-4-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17331695
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119106566
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 54849914
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 4723130
1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331636
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid (CID 171155021) is 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid is CCOc1ccc(CNCc2ccco2)cc1OC.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid?
The InChIKey is OQWXMFAQHMJYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.C2H2O4/c1-3-18-14-7-6-12(9-15(14)17-2)10-16-11-13-5-4-8-19-13;3-1(4)2(5)6/h4-9,16H,3,10-11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid?
1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid has a molecular weight of 351.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid is sourced from PubChem (CID 171155021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).