1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine

C14H23NO2 — CID 82354127

IUPAC1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
SMILESCc1ccc(OCCOCC(C)(C)N)c(C)c1
InChIInChI=1S/C14H23NO2/c1-11-5-6-13(12(2)9-11)17-8-7-16-10-14(3,4)15/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyWQJZXQHLUZUZCG-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.44
Rot. Bonds6

About 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine

1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine (PubChem CID 82354127) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
PubChem CID82354127
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
SMILESCc1ccc(OCCOCC(C)(C)N)c(C)c1
InChIInChI=1S/C14H23NO2/c1-11-5-6-13(12(2)9-11)17-8-7-16-10-14(3,4)15/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyWQJZXQHLUZUZCG-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354110
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine (CID 82354127) is 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine is Cc1ccc(OCCOCC(C)(C)N)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine?
The InChIKey is WQJZXQHLUZUZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-5-6-13(12(2)9-11)17-8-7-16-10-14(3,4)15/h5-6,9H,7-8,10,15H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine?
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 82354127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).