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

C19H23NO6 — CID 23724255

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid
SMILESCOc1ccc(CNCc2ccc(C)cc2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO2.C2H2O4/c1-13-4-6-14(7-5-13)11-18-12-15-8-9-16(19-2)10-17(15)20-3;3-1(4)2(5)6/h4-10,18H,11-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyVNOOJQRZJKULQR-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.46
Rot. Bonds6

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

N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid (PubChem CID 23724255) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid
PubChem CID23724255
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid
SMILESCOc1ccc(CNCc2ccc(C)cc2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO2.C2H2O4/c1-13-4-6-14(7-5-13)11-18-12-15-8-9-16(19-2)10-17(15)20-3;3-1(4)2(5)6/h4-10,18H,11-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyVNOOJQRZJKULQR-UHFFFAOYSA-N
XLogP2.46
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid (CID 23724255) is N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid is COc1ccc(CNCc2ccc(C)cc2)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid?
The InChIKey is VNOOJQRZJKULQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.C2H2O4/c1-13-4-6-14(7-5-13)11-18-12-15-8-9-16(19-2)10-17(15)20-3;3-1(4)2(5)6/h4-10,18H,11-12H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid?
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid has a molecular weight of 361.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;oxalic acid is sourced from PubChem (CID 23724255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).