4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline

C14H23NO2 — CID 103032538

IUPAC4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline
SMILESCOC(C)(C)CCOc1c(C)cc(N)cc1C
InChIInChI=1S/C14H23NO2/c1-10-8-12(15)9-11(2)13(10)17-7-6-14(3,4)16-5/h8-9H,6-7,15H2,1-5H3
InChIKeyQNCZEZXITKCLMV-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.08
Rot. Bonds5

About 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline

4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline (PubChem CID 103032538) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline
PubChem CID103032538
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline
SMILESCOC(C)(C)CCOc1c(C)cc(N)cc1C
InChIInChI=1S/C14H23NO2/c1-10-8-12(15)9-11(2)13(10)17-7-6-14(3,4)16-5/h8-9H,6-7,15H2,1-5H3
InChIKeyQNCZEZXITKCLMV-UHFFFAOYSA-N
XLogP3.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxy-3-methylbutoxy)-5-methylaniline
CID 106664947
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-methylphenyl]methyl]ethanamine
CID 103032918
4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline
CID 103032541
3-fluoro-2-(3-methoxy-3-methylbutoxy)aniline
CID 103032548
5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664894
2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol
CID 11845008
2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
CID 106664929
1-bromo-4-(3-methoxy-3-methylbutoxy)-2-methylbenzene
CID 103033816
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
2-(3-methoxy-3-methylbutoxy)-3-methylbenzoic acid
CID 103032563
3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 18327476
6-bromo-2-(3-methoxy-3-methylbutoxy)pyrimidin-4-amine
CID 106668961

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline (CID 103032538) is 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline is COC(C)(C)CCOc1c(C)cc(N)cc1C.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline?
The InChIKey is QNCZEZXITKCLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-8-12(15)9-11(2)13(10)17-7-6-14(3,4)16-5/h8-9H,6-7,15H2,1-5H3.
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline?
4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline has a molecular weight of 237.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline is sourced from PubChem (CID 103032538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).