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

C21H23NO4 — CID 3068597

IUPACN,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid
SMILESCN(C)CC1C=C(c2ccccc2)c2ccccc2C1.O=C(O)C(=O)O
InChIInChI=1S/C19H21N.C2H2O4/c1-20(2)14-15-12-17-10-6-7-11-18(17)19(13-15)16-8-4-3-5-9-16;3-1(4)2(5)6/h3-11,13,15H,12,14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyHQXLKWDQPMEUIH-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.01
Rot. Bonds3

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

N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid (PubChem CID 3068597) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid
PubChem CID3068597
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid
SMILESCN(C)CC1C=C(c2ccccc2)c2ccccc2C1.O=C(O)C(=O)O
InChIInChI=1S/C19H21N.C2H2O4/c1-20(2)14-15-12-17-10-6-7-11-18(17)19(13-15)16-8-4-3-5-9-16;3-1(4)2(5)6/h3-11,13,15H,12,14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyHQXLKWDQPMEUIH-UHFFFAOYSA-N
XLogP3.01
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.01
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-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid (CID 3068597) is N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid is CN(C)CC1C=C(c2ccccc2)c2ccccc2C1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid?
The InChIKey is HQXLKWDQPMEUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N.C2H2O4/c1-20(2)14-15-12-17-10-6-7-11-18(17)19(13-15)16-8-4-3-5-9-16;3-1(4)2(5)6/h3-11,13,15H,12,14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid?
N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid has a molecular weight of 353.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-phenyl-1,2-dihydronaphthalen-2-yl)methanamine;oxalic acid is sourced from PubChem (CID 3068597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).