N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid

C18H29NO6 — CID 2869640

IUPACN-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid
SMILESCc1ccc(C)c(OCCOCCNC(C)(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H27NO2.C2H2O4/c1-13-6-7-14(2)15(12-13)19-11-10-18-9-8-17-16(3,4)5;3-1(4)2(5)6/h6-7,12,17H,8-11H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyJGYDJQJFIBYPGQ-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.24
Rot. Bonds7

About N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid

N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid (PubChem CID 2869640) has the molecular formula C18H29NO6 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid
PubChem CID2869640
Molecular FormulaC18H29NO6
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC NameN-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid
SMILESCc1ccc(C)c(OCCOCCNC(C)(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H27NO2.C2H2O4/c1-13-6-7-14(2)15(12-13)19-11-10-18-9-8-17-16(3,4)5;3-1(4)2(5)6/h6-7,12,17H,8-11H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyJGYDJQJFIBYPGQ-UHFFFAOYSA-N
XLogP2.24
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.24
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-(2-tert-butyl-5-methylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2923884
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865464
N-tert-butyl-4-(2,3,5-trimethylphenoxy)butan-1-amine;oxalic acid
CID 2865538
4-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22681502
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
6-(2,5-dimethylphenoxy)-2-oxohexanoic acid
CID 57182380
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
2-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22682108
N-butan-2-yl-4-(2,5-dimethylphenoxy)butan-1-amine;oxalic acid
CID 2935414
2-methyl-N-[2-(2-methyl-5-nitrophenoxy)ethyl]propan-2-amine
CID 61386077

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid?
The IUPAC name of N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid (CID 2869640) is N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid.
What is the SMILES notation for N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid?
The canonical SMILES for N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid is Cc1ccc(C)c(OCCOCCNC(C)(C)C)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid?
The InChIKey is JGYDJQJFIBYPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2.C2H2O4/c1-13-6-7-14(2)15(12-13)19-11-10-18-9-8-17-16(3,4)5;3-1(4)2(5)6/h6-7,12,17H,8-11H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid?
N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid has a molecular weight of 355.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid is sourced from PubChem (CID 2869640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).