N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid

C20H22N2O4 — CID 6456344

IUPACN-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid
SMILESCN(CCc1ccccc1)Cc1c[nH]c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2.C2H2O4/c1-20(12-11-15-7-3-2-4-8-15)14-16-13-19-18-10-6-5-9-17(16)18;3-1(4)2(5)6/h2-10,13,19H,11-12,14H2,1H3;(H,3,4)(H,5,6)
InChIKeyLOAVMGBCALWWSY-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.00
Rot. Bonds5

About N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid

N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid (PubChem CID 6456344) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid
PubChem CID6456344
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid
SMILESCN(CCc1ccccc1)Cc1c[nH]c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2.C2H2O4/c1-20(12-11-15-7-3-2-4-8-15)14-16-13-19-18-10-6-5-9-17(16)18;3-1(4)2(5)6/h2-10,13,19H,11-12,14H2,1H3;(H,3,4)(H,5,6)
InChIKeyLOAVMGBCALWWSY-UHFFFAOYSA-N
XLogP3.00
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.00
H-Bond Donors ≤ 53
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-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid?
The IUPAC name of N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid (CID 6456344) is N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid is CN(CCc1ccccc1)Cc1c[nH]c2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid?
The InChIKey is LOAVMGBCALWWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C2H2O4/c1-20(12-11-15-7-3-2-4-8-15)14-16-13-19-18-10-6-5-9-17(16)18;3-1(4)2(5)6/h2-10,13,19H,11-12,14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid?
N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid has a molecular weight of 354.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-N-methyl-2-phenylethanamine;oxalic acid is sourced from PubChem (CID 6456344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).