N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid

C16H25NO7 — CID 2866066

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
SMILESCOc1cccc(OC)c1OCCNC(C)(C)C.O=C(O)C(=O)O
InChIInChI=1S/C14H23NO3.C2H2O4/c1-14(2,3)15-9-10-18-13-11(16-4)7-6-8-12(13)17-5;3-1(4)2(5)6/h6-8,15H,9-10H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyBXFXRUFECZUXJS-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.63
Rot. Bonds6

About N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid

N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid (PubChem CID 2866066) has the molecular formula C16H25NO7 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
PubChem CID2866066
Molecular FormulaC16H25NO7
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
SMILESCOc1cccc(OC)c1OCCNC(C)(C)C.O=C(O)C(=O)O
InChIInChI=1S/C14H23NO3.C2H2O4/c1-14(2,3)15-9-10-18-13-11(16-4)7-6-8-12(13)17-5;3-1(4)2(5)6/h6-8,15H,9-10H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyBXFXRUFECZUXJS-UHFFFAOYSA-N
XLogP1.63
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Cetamolol
CID 53698
N-methyl-3-(3-phenoxyphenoxy)-1-propanamine oxalate
CID 2949339
ethyl N-[3-(3-methoxyphenoxy)-2-hydroxypropyl]-3-aminopropanoate
CID 15578596
1-[4-(2,6-Dimethoxyphenoxy)butyl]piperidine oxalate
CID 2865673
N-{2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethyl}-3-methoxy-1-propanamine
CID 2869656
N-{2-[2-(2-fluorophenoxy)ethoxy]ethyl}-2-propanamine oxalate
CID 2869880
N-{2-[2-(3-ethoxyphenoxy)ethoxy]ethyl}-2-methyl-2-propanamine oxalate
CID 2922268
N-{2-[2-(4-fluorophenoxy)ethoxy]ethyl}-2-butanamine oxalate
CID 2934155
[2-(2,6-Dimethoxyphenoxy)ethyl]dimethylamine oxalate
CID 2935317
[3-(3-Isopropoxyphenoxy)propyl]methylamine oxalate
CID 2948760
N-[2-(3-ethoxyphenoxy)ethyl]cyclopentanamine oxalate
CID 2948838
[2-(2-Isopropoxyphenoxy)ethyl]methylamine oxalate
CID 2949312

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid (CID 2866066) is N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid is COc1cccc(OC)c1OCCNC(C)(C)C.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid?
The InChIKey is BXFXRUFECZUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3.C2H2O4/c1-14(2,3)15-9-10-18-13-11(16-4)7-6-8-12(13)17-5;3-1(4)2(5)6/h6-8,15H,9-10H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid?
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid has a molecular weight of 343.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid is sourced from PubChem (CID 2866066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).