1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid

C21H21NO5 — CID 17367817

IUPAC1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid
SMILESCOc1ccc(CNCc2cccc3ccccc23)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H19NO.C2H2O4/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17;3-1(4)2(5)6/h2-12,20H,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyYGHWLVHQJXNFHZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid

1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid (PubChem CID 17367817) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid
PubChem CID17367817
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid
SMILESCOc1ccc(CNCc2cccc3ccccc23)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H19NO.C2H2O4/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17;3-1(4)2(5)6/h2-12,20H,13-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyYGHWLVHQJXNFHZ-UHFFFAOYSA-N
XLogP3.29
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.29
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 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid?
The IUPAC name of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid (CID 17367817) is 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid is COc1ccc(CNCc2cccc3ccccc23)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid?
The InChIKey is YGHWLVHQJXNFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.C2H2O4/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17;3-1(4)2(5)6/h2-12,20H,13-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid?
1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid has a molecular weight of 367.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic acid is sourced from PubChem (CID 17367817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).