4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline

C16H27NO2 — CID 103032541

IUPAC4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline
SMILESCOC(C)(C)CCOc1cc(C)c(N)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)13-10-14(17)12(3)9-15(13)19-8-7-16(4,5)18-6/h9-11H,7-8,17H2,1-6H3
InChIKeyQIQMYSCZLLPNRL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.89
Rot. Bonds6

About 4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline

4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline (PubChem CID 103032541) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline
PubChem CID103032541
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline
SMILESCOC(C)(C)CCOc1cc(C)c(N)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)13-10-14(17)12(3)9-15(13)19-8-7-16(4,5)18-6/h9-11H,7-8,17H2,1-6H3
InChIKeyQIQMYSCZLLPNRL-UHFFFAOYSA-N
XLogP3.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.89
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

4-(methoxymethoxy)-2-methyl-5-propan-2-ylaniline
CID 65365399
4-(2-tert-butylsulfonylethoxy)-2-methyl-5-propan-2-ylaniline
CID 106721708
4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline
CID 114524620
5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 65216687
2-methyl-4-[2-(2-methylpropoxy)ethoxy]-5-propan-2-ylaniline
CID 106449346
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960
4-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylaniline
CID 65216740
4-(3-methoxy-3-methylbutoxy)-3,5-dimethylaniline
CID 103032538
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207
(1S)-1-[5-fluoro-2-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
CID 103032866
2-methyl-5-propan-2-yl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride
CID 64553762
2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
CID 106664929

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline (CID 103032541) is 4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline is COC(C)(C)CCOc1cc(C)c(N)cc1C(C)C.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline?
The InChIKey is QIQMYSCZLLPNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)13-10-14(17)12(3)9-15(13)19-8-7-16(4,5)18-6/h9-11H,7-8,17H2,1-6H3.
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline?
4-(3-methoxy-3-methylbutoxy)-2-methyl-5-propan-2-ylaniline has a molecular weight of 265.40 g/mol, XLogP of 3.89, 6 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)-2-methyl-5-propan-2-ylaniline is sourced from PubChem (CID 103032541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).