N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid

C22H25NO4 — CID 3068601

IUPACN,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid
SMILESCN(C)CCC1C=C(c2ccccc2)c2ccccc2C1.O=C(O)C(=O)O
InChIInChI=1S/C20H23N.C2H2O4/c1-21(2)13-12-16-14-18-10-6-7-11-19(18)20(15-16)17-8-4-3-5-9-17;3-1(4)2(5)6/h3-11,15-16H,12-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyZEGAQZTXYLEWOI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.40
Rot. Bonds4

About N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid

N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid (PubChem CID 3068601) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid
PubChem CID3068601
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid
SMILESCN(C)CCC1C=C(c2ccccc2)c2ccccc2C1.O=C(O)C(=O)O
InChIInChI=1S/C20H23N.C2H2O4/c1-21(2)13-12-16-14-18-10-6-7-11-19(18)20(15-16)17-8-4-3-5-9-17;3-1(4)2(5)6/h3-11,15-16H,12-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyZEGAQZTXYLEWOI-UHFFFAOYSA-N
XLogP3.40
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid (CID 3068601) is N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid is CN(C)CCC1C=C(c2ccccc2)c2ccccc2C1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid?
The InChIKey is ZEGAQZTXYLEWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N.C2H2O4/c1-21(2)13-12-16-14-18-10-6-7-11-19(18)20(15-16)17-8-4-3-5-9-17;3-1(4)2(5)6/h3-11,15-16H,12-14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid?
N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid has a molecular weight of 367.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine;oxalic acid is sourced from PubChem (CID 3068601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).