3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine

C17H21NO — CID 22978383

IUPAC3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine
SMILESCCC(C)(Cc1ccc(OC)cc1)c1cccnc1
InChIInChI=1S/C17H21NO/c1-4-17(2,15-6-5-11-18-13-15)12-14-7-9-16(19-3)10-8-14/h5-11,13H,4,12H2,1-3H3
InChIKeyBHWHQABRTWLVTE-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.00
Rot. Bonds5

About 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine

3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine (PubChem CID 22978383) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine
PubChem CID22978383
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine
SMILESCCC(C)(Cc1ccc(OC)cc1)c1cccnc1
InChIInChI=1S/C17H21NO/c1-4-17(2,15-6-5-11-18-13-15)12-14-7-9-16(19-3)10-8-14/h5-11,13H,4,12H2,1-3H3
InChIKeyBHWHQABRTWLVTE-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-methyl-4-(4-methylphenyl)-3-pyridin-3-ylbutanoate
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CID 139543665
1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol
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2-bromo-2-(4-methoxyphenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide
CID 87970212
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
3-(1-bromo-1-pyridin-3-ylpropyl)pyridine
CID 175286517
(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol
CID 125493756
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine?
The IUPAC name of 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine (CID 22978383) is 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine?
The canonical SMILES for 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine is CCC(C)(Cc1ccc(OC)cc1)c1cccnc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine?
The InChIKey is BHWHQABRTWLVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-17(2,15-6-5-11-18-13-15)12-14-7-9-16(19-3)10-8-14/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine?
3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine has a molecular weight of 255.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine is sourced from PubChem (CID 22978383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).