N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid

C18H21NO5 — CID 17367870

IUPACN-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid
SMILESCOc1ccccc1CNCc1ccc(C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO.C2H2O4/c1-13-7-9-14(10-8-13)11-17-12-15-5-3-4-6-16(15)18-2;3-1(4)2(5)6/h3-10,17H,11-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyZDFSDWHGVDMYEY-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.45
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid

N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid (PubChem CID 17367870) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid
PubChem CID17367870
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid
SMILESCOc1ccccc1CNCc1ccc(C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO.C2H2O4/c1-13-7-9-14(10-8-13)11-17-12-15-5-3-4-6-16(15)18-2;3-1(4)2(5)6/h3-10,17H,11-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyZDFSDWHGVDMYEY-UHFFFAOYSA-N
XLogP2.45
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.45
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-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid (CID 17367870) is N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid is COc1ccccc1CNCc1ccc(C)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid?
The InChIKey is ZDFSDWHGVDMYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.C2H2O4/c1-13-7-9-14(10-8-13)11-17-12-15-5-3-4-6-16(15)18-2;3-1(4)2(5)6/h3-10,17H,11-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid?
N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid has a molecular weight of 331.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid is sourced from PubChem (CID 17367870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).