N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid

C21H25NO6 — CID 163327820

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid
SMILESCOc1cccc(CNC2CCCc3ccccc32)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C19H23NO2.C2H2O4/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17;3-1(4)2(5)6/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyQJZAGLAZIFVBNG-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.03
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid

N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid (PubChem CID 163327820) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid
PubChem CID163327820
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid
SMILESCOc1cccc(CNC2CCCc3ccccc32)c1OC.O=C(O)C(=O)O
InChIInChI=1S/C19H23NO2.C2H2O4/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17;3-1(4)2(5)6/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyQJZAGLAZIFVBNG-UHFFFAOYSA-N
XLogP3.03
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181895
N-[(2,3,4-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3126346
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531349
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 95588885
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 46486313
N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2671208

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid (CID 163327820) is N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid is COc1cccc(CNC2CCCc3ccccc32)c1OC.O=C(O)C(=O)O.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid?
The InChIKey is QJZAGLAZIFVBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.C2H2O4/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17;3-1(4)2(5)6/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid?
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid has a molecular weight of 387.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid is sourced from PubChem (CID 163327820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).