oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine

C19H23NO7 — CID 17052977

IUPACoxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccccc2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO3.C2H2O4/c1-19-15-10-9-14(16(20-2)17(15)21-3)12-18-11-13-7-5-4-6-8-13;3-1(4)2(5)6/h4-10,18H,11-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYUCPFNPNGQBHEP-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.16
Rot. Bonds7

About oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine

oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine (PubChem CID 17052977) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Nameoxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
PubChem CID17052977
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC Nameoxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccccc2)c(OC)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO3.C2H2O4/c1-19-15-10-9-14(16(20-2)17(15)21-3)12-18-11-13-7-5-4-6-8-13;3-1(4)2(5)6/h4-10,18H,11-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyYUCPFNPNGQBHEP-UHFFFAOYSA-N
XLogP2.16
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.16
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-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine;oxalic acid
CID 146115791
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
2-(4-fluorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367731
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
2-benzylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94049662
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110
1-(1,3-benzodioxol-5-yl)-N-[(4-methoxynaphthalen-1-yl)methyl]methanamine;oxalic acid
CID 17367399
4-[(2,3,4-trimethoxyphenyl)methylamino]butanoic acid
CID 60782759
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine;hydrochloride
CID 47052559

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine (CID 17052977) is oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine is COc1ccc(CNCc2ccccc2)c(OC)c1OC.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
The InChIKey is YUCPFNPNGQBHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3.C2H2O4/c1-19-15-10-9-14(16(20-2)17(15)21-3)12-18-11-13-7-5-4-6-8-13;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 oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine?
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine has a molecular weight of 377.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 17052977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).