6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine

C17H22N2O — CID 107668066

IUPAC6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
SMILESCCC(C)c1ccc(OCc2cccc(NC)n2)cc1
InChIInChI=1S/C17H22N2O/c1-4-13(2)14-8-10-16(11-9-14)20-12-15-6-5-7-17(18-3)19-15/h5-11,13H,4,12H2,1-3H3,(H,18,19)
InChIKeyCTTJWALJRIDBHU-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.22
Rot. Bonds6

About 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine

6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 107668066) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID107668066
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
SMILESCCC(C)c1ccc(OCc2cccc(NC)n2)cc1
InChIInChI=1S/C17H22N2O/c1-4-13(2)14-8-10-16(11-9-14)20-12-15-6-5-7-17(18-3)19-15/h5-11,13H,4,12H2,1-3H3,(H,18,19)
InChIKeyCTTJWALJRIDBHU-UHFFFAOYSA-N
XLogP4.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 79239350
2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine
CID 107668074
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 79240035
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
CID 142102612
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231253
N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine
CID 79232344
6-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
CID 79239382
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
6-[(2-iodophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239369
3-[(4-butan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 113219733

Frequently Asked Questions

What is the IUPAC name of 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine (CID 107668066) is 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine is CCC(C)c1ccc(OCc2cccc(NC)n2)cc1.
What is the InChIKey of 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is CTTJWALJRIDBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-13(2)14-8-10-16(11-9-14)20-12-15-6-5-7-17(18-3)19-15/h5-11,13H,4,12H2,1-3H3,(H,18,19).
What are the key properties of 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine?
6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 107668066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).