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

C17H22N2O — CID 107668074

IUPAC2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine
SMILESCCC(C)c1ccc(OCc2cc(NC)ccn2)cc1
InChIInChI=1S/C17H22N2O/c1-4-13(2)14-5-7-17(8-6-14)20-12-16-11-15(18-3)9-10-19-16/h5-11,13H,4,12H2,1-3H3,(H,18,19)
InChIKeyGFPBTTYRHXRDTJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.22
Rot. Bonds6

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

2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine (PubChem CID 107668074) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine
PubChem CID107668074
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine
SMILESCCC(C)c1ccc(OCc2cc(NC)ccn2)cc1
InChIInChI=1S/C17H22N2O/c1-4-13(2)14-5-7-17(8-6-14)20-12-16-11-15(18-3)9-10-19-16/h5-11,13H,4,12H2,1-3H3,(H,18,19)
InChIKeyGFPBTTYRHXRDTJ-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

2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine
CID 79251513
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260240
6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
CID 107668066
2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine
CID 79259130
4-butan-2-yl-N-methylaniline
CID 22675641
N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine
CID 79251088
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
[2-[(2-butan-2-ylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259305
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260330

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine (CID 107668074) is 2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine is CCC(C)c1ccc(OCc2cc(NC)ccn2)cc1.
What is the InChIKey of 2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine?
The InChIKey is GFPBTTYRHXRDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-13(2)14-5-7-17(8-6-14)20-12-16-11-15(18-3)9-10-19-16/h5-11,13H,4,12H2,1-3H3,(H,18,19).
What are the key properties of 2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine?
2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-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 2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 107668074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).