ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine

C16H21NO — CID 144506103

IUPACethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine
SMILESCC.COCc1ccc(-c2cccnc2C)cc1
InChIInChI=1S/C14H15NO.C2H6/c1-11-14(4-3-9-15-11)13-7-5-12(6-8-13)10-16-2;1-2/h3-9H,10H2,1-2H3;1-2H3
InChIKeyTYOODDJQUDHCDH-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.23
Rot. Bonds3

About ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine

ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine (PubChem CID 144506103) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine.

Molecular Properties

Compound Nameethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine
PubChem CID144506103
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Nameethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine
SMILESCC.COCc1ccc(-c2cccnc2C)cc1
InChIInChI=1S/C14H15NO.C2H6/c1-11-14(4-3-9-15-11)13-7-5-12(6-8-13)10-16-2;1-2/h3-9H,10H2,1-2H3;1-2H3
InChIKeyTYOODDJQUDHCDH-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(methoxymethyl)phenyl]-2-methylpyridine
CID 90168009
3-[4-(2-methoxyethoxy)phenyl]-2-methylpyridine
CID 90168005
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
2-methoxy-5-(2-methyl-3-pyridinyl)pyridine
CID 90167711
N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 90168120
S-[4-(2-methyl-3-pyridinyl)phenyl]thiohydroxylamine
CID 144505126
3-(methoxymethyl)-2-methyl-5-[4-(2-methyl-3-pyridinyl)-2-pyridinyl]pyridine
CID 146279920
1-(methoxymethyl)-4-phenylbenzene
CID 14906855
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
2,3-bis[4-(methoxymethyl)phenyl]aniline
CID 122510974
[6-(2-methyl-3-pyridinyl)-3-pyridinyl]methanol
CID 67034417

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine?
The IUPAC name of ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine (CID 144506103) is ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine.
What is the SMILES notation for ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine?
The canonical SMILES for ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine is CC.COCc1ccc(-c2cccnc2C)cc1.
What is the InChIKey of ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine?
The InChIKey is TYOODDJQUDHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C2H6/c1-11-14(4-3-9-15-11)13-7-5-12(6-8-13)10-16-2;1-2/h3-9H,10H2,1-2H3;1-2H3.
What are the key properties of ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine?
ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine has a molecular weight of 243.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(methoxymethyl)phenyl]-2-methylpyridine is sourced from PubChem (CID 144506103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).