N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid

C16H25NO5 — CID 2935497

IUPACN,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid
SMILESCc1ccc(C(C)C)c(OCCN(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C14H23NO.C2H2O4/c1-11(2)13-7-6-12(3)10-14(13)16-9-8-15(4)5;3-1(4)2(5)6/h6-7,10-11H,8-9H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyZZRHRQRIWVTCAK-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.21
Rot. Bonds5

About N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid

N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid (PubChem CID 2935497) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid
PubChem CID2935497
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC NameN,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid
SMILESCc1ccc(C(C)C)c(OCCN(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C14H23NO.C2H2O4/c1-11(2)13-7-6-12(3)10-14(13)16-9-8-15(4)5;3-1(4)2(5)6/h6-7,10-11H,8-9H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyZZRHRQRIWVTCAK-UHFFFAOYSA-N
XLogP2.21
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid (CID 2935497) is N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid is Cc1ccc(C(C)C)c(OCCN(C)C)c1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid?
The InChIKey is ZZRHRQRIWVTCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.C2H2O4/c1-11(2)13-7-6-12(3)10-14(13)16-9-8-15(4)5;3-1(4)2(5)6/h6-7,10-11H,8-9H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid?
N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid has a molecular weight of 311.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;oxalic acid is sourced from PubChem (CID 2935497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).