N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid

C14H21NO6 — CID 2949312

IUPACN-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid
SMILESCNCCOc1ccccc1OC(C)C.O=C(O)C(=O)O
InChIInChI=1S/C12H19NO2.C2H2O4/c1-10(2)15-12-7-5-4-6-11(12)14-9-8-13-3;3-1(4)2(5)6/h4-7,10,13H,8-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySVXCTCAGQCEMQK-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.23
Rot. Bonds6

About N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid

N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid (PubChem CID 2949312) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid
PubChem CID2949312
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC NameN-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid
SMILESCNCCOc1ccccc1OC(C)C.O=C(O)C(=O)O
InChIInChI=1S/C12H19NO2.C2H2O4/c1-10(2)15-12-7-5-4-6-11(12)14-9-8-13-3;3-1(4)2(5)6/h4-7,10,13H,8-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySVXCTCAGQCEMQK-UHFFFAOYSA-N
XLogP1.23
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid?
The IUPAC name of N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid (CID 2949312) is N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid.
What is the SMILES notation for N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid?
The canonical SMILES for N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid is CNCCOc1ccccc1OC(C)C.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid?
The InChIKey is SVXCTCAGQCEMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C2H2O4/c1-10(2)15-12-7-5-4-6-11(12)14-9-8-13-3;3-1(4)2(5)6/h4-7,10,13H,8-9H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid?
N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid has a molecular weight of 299.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid is sourced from PubChem (CID 2949312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).