3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine

C26H31NO — CID 54369431

IUPAC3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine
SMILESCC(C)Oc1c(CCCc2ccccc2)cccc1CCCc1cccnc1
InChIInChI=1S/C26H31NO/c1-21(2)28-26-24(15-6-12-22-10-4-3-5-11-22)17-8-18-25(26)16-7-13-23-14-9-19-27-20-23/h3-5,8-11,14,17-21H,6-7,12-13,15-16H2,1-2H3
InChIKeyWPYADYSAMWVJPI-UHFFFAOYSA-N
MW373.54 g/mol
LogP6.22
Rot. Bonds10

About 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine

3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine (PubChem CID 54369431) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine.

Molecular Properties

Compound Name3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine
PubChem CID54369431
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine
SMILESCC(C)Oc1c(CCCc2ccccc2)cccc1CCCc1cccnc1
InChIInChI=1S/C26H31NO/c1-21(2)28-26-24(15-6-12-22-10-4-3-5-11-22)17-8-18-25(26)16-7-13-23-14-9-19-27-20-23/h3-5,8-11,14,17-21H,6-7,12-13,15-16H2,1-2H3
InChIKeyWPYADYSAMWVJPI-UHFFFAOYSA-N
XLogP6.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
3-(5-methylhexyl)pyridine
CID 54316004
3-(14-methylpentadecyl)pyridine
CID 19697272
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
[1-(3-propan-2-yloxyphenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 105326477
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105119933
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine?
The IUPAC name of 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine (CID 54369431) is 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine.
What is the SMILES notation for 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine?
The canonical SMILES for 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine is CC(C)Oc1c(CCCc2ccccc2)cccc1CCCc1cccnc1.
What is the InChIKey of 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine?
The InChIKey is WPYADYSAMWVJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO/c1-21(2)28-26-24(15-6-12-22-10-4-3-5-11-22)17-8-18-25(26)16-7-13-23-14-9-19-27-20-23/h3-5,8-11,14,17-21H,6-7,12-13,15-16H2,1-2H3.
What are the key properties of 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine?
3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine has a molecular weight of 373.54 g/mol, XLogP of 6.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-phenylpropyl)-2-propan-2-yloxyphenyl]propyl]pyridine is sourced from PubChem (CID 54369431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).