N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid

C22H23NO5 — CID 23724191

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid
SMILESCOc1ccc2ccccc2c1CN(C)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H21NO.C2H2O4/c1-21(14-16-8-4-3-5-9-16)15-19-18-11-7-6-10-17(18)12-13-20(19)22-2;3-1(4)2(5)6/h3-13H,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUPOGIHXSQBRMBH-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.64
Rot. Bonds5

About N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid

N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid (PubChem CID 23724191) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid
PubChem CID23724191
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid
SMILESCOc1ccc2ccccc2c1CN(C)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H21NO.C2H2O4/c1-21(14-16-8-4-3-5-9-16)15-19-18-11-7-6-10-17(18)12-13-20(19)22-2;3-1(4)2(5)6/h3-13H,14-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUPOGIHXSQBRMBH-UHFFFAOYSA-N
XLogP3.64
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
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-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid (CID 23724191) is N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid is COc1ccc2ccccc2c1CN(C)Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid?
The InChIKey is UPOGIHXSQBRMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.C2H2O4/c1-21(14-16-8-4-3-5-9-16)15-19-18-11-7-6-10-17(18)12-13-20(19)22-2;3-1(4)2(5)6/h3-13H,14-15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid?
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid has a molecular weight of 381.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid is sourced from PubChem (CID 23724191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).