N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid

C15H23NO6 — CID 2865974

IUPACN-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
SMILESCOc1cccc(OCCNC(C)(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H21NO2.C2H2O4/c1-13(2,3)14-8-9-16-12-7-5-6-11(10-12)15-4;3-1(4)2(5)6/h5-7,10,14H,8-9H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyKGMXFLMZYDZTLY-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid

N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid (PubChem CID 2865974) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
PubChem CID2865974
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
SMILESCOc1cccc(OCCNC(C)(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H21NO2.C2H2O4/c1-13(2,3)14-8-9-16-12-7-5-6-11(10-12)15-4;3-1(4)2(5)6/h5-7,10,14H,8-9H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyKGMXFLMZYDZTLY-UHFFFAOYSA-N
XLogP1.62
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.62
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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Related Compounds

N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid
CID 2923948
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
3-[2-(4-methoxyanilino)ethoxy]benzoic acid
CID 103234904
3-[2-(tert-butylamino)ethoxy]benzonitrile
CID 60981282
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 63985963
N-tert-butyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066547
trans-(1R,2R)-2-[2-(3-methoxyphenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150665

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid (CID 2865974) is N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid is COc1cccc(OCCNC(C)(C)C)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid?
The InChIKey is KGMXFLMZYDZTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.C2H2O4/c1-13(2,3)14-8-9-16-12-7-5-6-11(10-12)15-4;3-1(4)2(5)6/h5-7,10,14H,8-9H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid?
N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid has a molecular weight of 313.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid is sourced from PubChem (CID 2865974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).