3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine

C16H19NO — CID 112651495

IUPAC3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
SMILESCc1cccnc1COc1ccccc1C(C)C
InChIInChI=1S/C16H19NO/c1-12(2)14-8-4-5-9-16(14)18-11-15-13(3)7-6-10-17-15/h4-10,12H,11H2,1-3H3
InChIKeyWIPUUWNSBGRZBW-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.09
Rot. Bonds4

About 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine

3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine (PubChem CID 112651495) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
PubChem CID112651495
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
SMILESCc1cccnc1COc1ccccc1C(C)C
InChIInChI=1S/C16H19NO/c1-12(2)14-8-4-5-9-16(14)18-11-15-13(3)7-6-10-17-15/h4-10,12H,11H2,1-3H3
InChIKeyWIPUUWNSBGRZBW-UHFFFAOYSA-N
XLogP4.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577
2-[(2-iodophenoxy)methyl]-3-methylpyridine
CID 112549846
1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112649868
[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 112650634
trifluoro-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 115982170
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172
2-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
CID 112549824
(NZ)-N-[1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 112650504
3,5-dimethyl-2-[(2-propan-2-ylphenoxy)methyl]pyridin-4-amine
CID 103183024
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
1-[5-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650649
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine?
The IUPAC name of 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine (CID 112651495) is 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine.
What is the SMILES notation for 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine?
The canonical SMILES for 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine is Cc1cccnc1COc1ccccc1C(C)C.
What is the InChIKey of 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine?
The InChIKey is WIPUUWNSBGRZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(2)14-8-4-5-9-16(14)18-11-15-13(3)7-6-10-17-15/h4-10,12H,11H2,1-3H3.
What are the key properties of 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine?
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine has a molecular weight of 241.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine is sourced from PubChem (CID 112651495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).