5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine

C17H20BrNO — CID 104809617

IUPAC5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine
SMILESCCC(C)(C)c1ccc(OCc2ccc(Br)cn2)cc1
InChIInChI=1S/C17H20BrNO/c1-4-17(2,3)13-5-9-16(10-6-13)20-12-15-8-7-14(18)11-19-15/h5-11H,4,12H2,1-3H3
InChIKeyQNVQEULEQCOZNP-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.11
Rot. Bonds5

About 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine

5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine (PubChem CID 104809617) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine
PubChem CID104809617
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine
SMILESCCC(C)(C)c1ccc(OCc2ccc(Br)cn2)cc1
InChIInChI=1S/C17H20BrNO/c1-4-17(2,3)13-5-9-16(10-6-13)20-12-15-8-7-14(18)11-19-15/h5-11H,4,12H2,1-3H3
InChIKeyQNVQEULEQCOZNP-UHFFFAOYSA-N
XLogP5.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
1-(6-bromohexoxy)-4-(2-methylbutan-2-yl)benzene
CID 154085988
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
3-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]aniline
CID 43349754
1-[(5-bromo-2-pyridinyl)methoxy]-2-methylpropan-2-amine
CID 104799626
dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium
CID 2182202
3-[(5-bromo-2-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566817
[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine
CID 62454775

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine (CID 104809617) is 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine is CCC(C)(C)c1ccc(OCc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine?
The InChIKey is QNVQEULEQCOZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-17(2,3)13-5-9-16(10-6-13)20-12-15-8-7-14(18)11-19-15/h5-11H,4,12H2,1-3H3.
What are the key properties of 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine?
5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine has a molecular weight of 334.26 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine is sourced from PubChem (CID 104809617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).