[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine

C16H20N2O — CID 106907946

IUPAC[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCC(C)c1ccc(OCc2cccc(CN)n2)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)13-6-8-16(9-7-13)19-11-15-5-3-4-14(10-17)18-15/h3-9,12H,10-11,17H2,1-2H3
InChIKeyBOJYXGOMAYVNGG-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.24
Rot. Bonds5

About [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine

[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 106907946) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID106907946
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCC(C)c1ccc(OCc2cccc(CN)n2)cc1
InChIInChI=1S/C16H20N2O/c1-12(2)13-6-8-16(9-7-13)19-11-15-5-3-4-14(10-17)18-15/h3-9,12H,10-11,17H2,1-2H3
InChIKeyBOJYXGOMAYVNGG-UHFFFAOYSA-N
XLogP3.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
[6-[(4-propylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908300
[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908219
[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908225
[6-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908576
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
3-[(4-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082439
6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
CID 107668066
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-5-amine
CID 82168504
2-chloro-6-[(4-ethoxyphenoxy)methyl]pyridine
CID 79240758
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512

Frequently Asked Questions

What is the IUPAC name of [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine (CID 106907946) is [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine is CC(C)c1ccc(OCc2cccc(CN)n2)cc1.
What is the InChIKey of [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is BOJYXGOMAYVNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(2)13-6-8-16(9-7-13)19-11-15-5-3-4-14(10-17)18-15/h3-9,12H,10-11,17H2,1-2H3.
What are the key properties of [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine?
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106907946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).