N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid

C15H17NO5 — CID 24747131

IUPACN-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid
SMILESCc1ccc(CNCc2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H15NO.C2H2O4/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13;3-1(4)2(5)6/h2-8,14H,9-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyDGBPBBUDVCFXOU-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.03
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid

N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid (PubChem CID 24747131) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid
PubChem CID24747131
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid
SMILESCc1ccc(CNCc2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H15NO.C2H2O4/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13;3-1(4)2(5)6/h2-8,14H,9-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyDGBPBBUDVCFXOU-UHFFFAOYSA-N
XLogP2.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid (CID 24747131) is N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid is Cc1ccc(CNCc2ccco2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid?
The InChIKey is DGBPBBUDVCFXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C2H2O4/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13;3-1(4)2(5)6/h2-8,14H,9-10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid?
N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid has a molecular weight of 291.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine;oxalic acid is sourced from PubChem (CID 24747131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).