N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid

C15H23NO6 — CID 2934627

IUPACN,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid
SMILESCC(C)Oc1ccccc1OCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C13H21NO2.C2H2O4/c1-11(2)16-13-8-6-5-7-12(13)15-10-9-14(3)4;3-1(4)2(5)6/h5-8,11H,9-10H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyCDZOKBMFDNGRQW-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.57
Rot. Bonds6

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

N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid (PubChem CID 2934627) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid
PubChem CID2934627
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC NameN,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid
SMILESCC(C)Oc1ccccc1OCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C13H21NO2.C2H2O4/c1-11(2)16-13-8-6-5-7-12(13)15-10-9-14(3)4;3-1(4)2(5)6/h5-8,11H,9-10H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyCDZOKBMFDNGRQW-UHFFFAOYSA-N
XLogP1.57
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2,2'-(1,2-Phenylenebis(oxy))bisacetic acid
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CID 3151249
2,3,5,6,8,9,11,12,14,15-Decahydro-4,13-(ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine
CID 544918
2-(2-Ethoxyphenoxy)acetic acid
CID 351531
[2-(3-Bromophenoxy)ethyl]dimethylamine oxalate
CID 2935427
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CID 2935506
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CID 2841432

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid (CID 2934627) is N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid is CC(C)Oc1ccccc1OCCN(C)C.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid?
The InChIKey is CDZOKBMFDNGRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.C2H2O4/c1-11(2)16-13-8-6-5-7-12(13)15-10-9-14(3)4;3-1(4)2(5)6/h5-8,11H,9-10H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid?
N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid has a molecular weight of 313.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-propan-2-yloxyphenoxy)ethanamine;oxalic acid is sourced from PubChem (CID 2934627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).