2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine

C16H27NO2 — CID 82138621

IUPAC2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine
SMILESCCC(CC)(CN)CCOc1ccc(C)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-16(6-2,12-17)9-10-19-14-8-7-13(3)11-15(14)18-4/h7-8,11H,5-6,9-10,12,17H2,1-4H3
InChIKeyKOBPVJFEHWUPTO-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.54
Rot. Bonds8

About 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine

2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine (PubChem CID 82138621) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine
PubChem CID82138621
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine
SMILESCCC(CC)(CN)CCOc1ccc(C)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-16(6-2,12-17)9-10-19-14-8-7-13(3)11-15(14)18-4/h7-8,11H,5-6,9-10,12,17H2,1-4H3
InChIKeyKOBPVJFEHWUPTO-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
5-(2-methoxy-4-methylphenoxy)-2,2-dimethylpentanimidamide
CID 65258595
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
5-(2,3-dimethoxyphenoxy)-2,2-diethylpentan-1-amine
CID 82138594
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111063
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298
4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138051
2-(aminomethyl)-2-[2-(2-methoxyphenoxy)ethyl]pentan-1-ol
CID 106506434
2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
CID 58551430

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine?
The IUPAC name of 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine (CID 82138621) is 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine.
What is the SMILES notation for 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine?
The canonical SMILES for 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine is CCC(CC)(CN)CCOc1ccc(C)cc1OC.
What is the InChIKey of 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine?
The InChIKey is KOBPVJFEHWUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-16(6-2,12-17)9-10-19-14-8-7-13(3)11-15(14)18-4/h7-8,11H,5-6,9-10,12,17H2,1-4H3.
What are the key properties of 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine?
2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(2-methoxy-4-methylphenoxy)butan-1-amine is sourced from PubChem (CID 82138621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).