(1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid

C20H23NO6 — CID 70291203

IUPAC(1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid
SMILESCOc1ccccc1O[C@@H]1c2ccccc2C[C@H]1N(C)C.O=C(O)C(=O)O
InChIInChI=1S/C18H21NO2.C2H2O4/c1-19(2)15-12-13-8-4-5-9-14(13)18(15)21-17-11-7-6-10-16(17)20-3;3-1(4)2(5)6/h4-11,15,18H,12H2,1-3H3;(H,3,4)(H,5,6)/t15-,18-;/m1./s1
InChIKeyZERDNFANYBFTFT-KQKCUOLZSA-N
MW373.41 g/mol
LogP2.46
Rot. Bonds4

About (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid

(1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid (PubChem CID 70291203) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid.

Molecular Properties

Compound Name(1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid
PubChem CID70291203
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name(1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid
SMILESCOc1ccccc1O[C@@H]1c2ccccc2C[C@H]1N(C)C.O=C(O)C(=O)O
InChIInChI=1S/C18H21NO2.C2H2O4/c1-19(2)15-12-13-8-4-5-9-14(13)18(15)21-17-11-7-6-10-16(17)20-3;3-1(4)2(5)6/h4-11,15,18H,12H2,1-3H3;(H,3,4)(H,5,6)/t15-,18-;/m1./s1
InChIKeyZERDNFANYBFTFT-KQKCUOLZSA-N
XLogP2.46
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid?
The IUPAC name of (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid (CID 70291203) is (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid.
What is the SMILES notation for (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid?
The canonical SMILES for (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid is COc1ccccc1O[C@@H]1c2ccccc2C[C@H]1N(C)C.O=C(O)C(=O)O.
What is the InChIKey of (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid?
The InChIKey is ZERDNFANYBFTFT-KQKCUOLZSA-N. The full InChI is InChI=1S/C18H21NO2.C2H2O4/c1-19(2)15-12-13-8-4-5-9-14(13)18(15)21-17-11-7-6-10-16(17)20-3;3-1(4)2(5)6/h4-11,15,18H,12H2,1-3H3;(H,3,4)(H,5,6)/t15-,18-;/m1./s1.
What are the key properties of (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid?
(1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid has a molecular weight of 373.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(2-methoxyphenoxy)-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine;oxalic acid is sourced from PubChem (CID 70291203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).