1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine

C18H24N2O — CID 80627302

IUPAC1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2c(C)ccc(C)c2C)nc1
InChIInChI=1S/C18H24N2O/c1-5-16(19)10-15-8-9-17(20-11-15)21-18-13(3)7-6-12(2)14(18)4/h6-9,11,16H,5,10,19H2,1-4H3
InChIKeyCGQYZTAKVHSSNW-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.08
Rot. Bonds5

About 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine

1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine (PubChem CID 80627302) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine
PubChem CID80627302
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2c(C)ccc(C)c2C)nc1
InChIInChI=1S/C18H24N2O/c1-5-16(19)10-15-8-9-17(20-11-15)21-18-13(3)7-6-12(2)14(18)4/h6-9,11,16H,5,10,19H2,1-4H3
InChIKeyCGQYZTAKVHSSNW-UHFFFAOYSA-N
XLogP4.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640337
1-[6-(3,5-dichlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640652
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
1-[6-(4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640336
1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
CID 80639341
1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]butan-2-amine
CID 80626959
1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640738
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546
(2S)-1-(6-methoxy-3-pyridinyl)pentan-2-amine
CID 104932333
N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381985
[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine
CID 80633747
5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 80632913

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine (CID 80627302) is 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Oc2c(C)ccc(C)c2C)nc1.
What is the InChIKey of 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine?
The InChIKey is CGQYZTAKVHSSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-16(19)10-15-8-9-17(20-11-15)21-18-13(3)7-6-12(2)14(18)4/h6-9,11,16H,5,10,19H2,1-4H3.
What are the key properties of 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine?
1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3,6-trimethylphenoxy)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80627302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).