2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine

C15H25NO3 — CID 62450533

IUPAC2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1c(OC)cccc1OC
InChIInChI=1S/C15H25NO3/c1-6-12(10-16-11(2)3)19-15-13(17-4)8-7-9-14(15)18-5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyCACVKOCUHDCDGJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.86
Rot. Bonds8

About 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine

2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 62450533) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID62450533
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1c(OC)cccc1OC
InChIInChI=1S/C15H25NO3/c1-6-12(10-16-11(2)3)19-15-13(17-4)8-7-9-14(15)18-5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyCACVKOCUHDCDGJ-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 62451787
2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62452119
2-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62449487
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
3-(2,6-dimethoxyphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 116811382
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
2-(2-tert-butyl-4-methoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 63492520
3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine
CID 103229133
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine (CID 62450533) is 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Oc1c(OC)cccc1OC.
What is the InChIKey of 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is CACVKOCUHDCDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-12(10-16-11(2)3)19-15-13(17-4)8-7-9-14(15)18-5/h7-9,11-12,16H,6,10H2,1-5H3.
What are the key properties of 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine?
2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62450533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).