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

C22H23NO5 — CID 23724190

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid
SMILESCOc1ccc2ccccc2c1CNC(C)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H21NO.C2H2O4/c1-15(16-8-4-3-5-9-16)21-14-19-18-11-7-6-10-17(18)12-13-20(19)22-2;3-1(4)2(5)6/h3-13,15,21H,14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCTXBJYGFLUCXPK-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.85
Rot. Bonds5

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

N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid (PubChem CID 23724190) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid
PubChem CID23724190
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid
SMILESCOc1ccc2ccccc2c1CNC(C)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C20H21NO.C2H2O4/c1-15(16-8-4-3-5-9-16)21-14-19-18-11-7-6-10-17(18)12-13-20(19)22-2;3-1(4)2(5)6/h3-13,15,21H,14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyCTXBJYGFLUCXPK-UHFFFAOYSA-N
XLogP3.85
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

SR-59230A
CID 9888075
3-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]propanoic acid
CID 77847762
N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 27271164
1-(2-(benzyloxy)naphthalen-1-yl)-N-methylmethanamine hydrochloride
CID 2964158
Ono-AP-324
CID 9867828
(4-Methoxy-benzyl)-naphthalen-1-ylmethyl-amine
CID 17367817
4-Methoxy-N-[(2-methoxyphenyl)methyl]-1-naphthalenemethanamine
CID 791864
N-[(2-methoxy-1-naphthyl)methyl]-2-phenylethanamine hydrochloride
CID 2838218
N-[(2-methoxynaphthalen-1-yl)methyl]-N-methyl-1-phenylmethanamine;oxalic acid
CID 23724191
(3-Methoxy-benzyl)-(2-methoxy-benzyl)-amine
CID 23724326
2-[8-(2-Acetamidoethyl)naphthalen-2-yl]oxyacetic acid
CID 15340628
(R)-N-((4''-methoxybiphenyl-3-yl)methyl)-1-(3-methoxyphenyl)ethanamine
CID 49866003

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid (CID 23724190) is N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid is COc1ccc2ccccc2c1CNC(C)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid?
The InChIKey is CTXBJYGFLUCXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO.C2H2O4/c1-15(16-8-4-3-5-9-16)21-14-19-18-11-7-6-10-17(18)12-13-20(19)22-2;3-1(4)2(5)6/h3-13,15,21H,14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid?
N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid has a molecular weight of 381.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-1-phenylethanamine;oxalic acid is sourced from PubChem (CID 23724190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).