2-tert-butyl-5-(2-phenylpropyl)pyridine

C18H23N — CID 170131220

IUPAC2-tert-butyl-5-(2-phenylpropyl)pyridine
SMILESCC(Cc1ccc(C(C)(C)C)nc1)c1ccccc1
InChIInChI=1S/C18H23N/c1-14(16-8-6-5-7-9-16)12-15-10-11-17(19-13-15)18(2,3)4/h5-11,13-14H,12H2,1-4H3
InChIKeyRRMCNPOEGGREJJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.73
Rot. Bonds3

About 2-tert-butyl-5-(2-phenylpropyl)pyridine

2-tert-butyl-5-(2-phenylpropyl)pyridine (PubChem CID 170131220) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-phenylpropyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-phenylpropyl)pyridine
PubChem CID170131220
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-tert-butyl-5-(2-phenylpropyl)pyridine
SMILESCC(Cc1ccc(C(C)(C)C)nc1)c1ccccc1
InChIInChI=1S/C18H23N/c1-14(16-8-6-5-7-9-16)12-15-10-11-17(19-13-15)18(2,3)4/h5-11,13-14H,12H2,1-4H3
InChIKeyRRMCNPOEGGREJJ-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1,2-ditert-butyl-4-(2-phenylpropyl)benzene
CID 101326630
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
3-tert-butyl-6-(2-naphthalen-2-ylpropyl)isoquinoline
CID 167048597
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
5-[(2R)-2-phenylpropyl]-1H-pyrrolo[2,3-b]pyridine
CID 147597000
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
2-tert-butyl-5-[2-methyl-2-(6-methyl-2-pyridinyl)propyl]pyridine
CID 139501596
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
2-tert-butyl-5-(2-phenylethoxy)pyridine
CID 20709511

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-phenylpropyl)pyridine?
The IUPAC name of 2-tert-butyl-5-(2-phenylpropyl)pyridine (CID 170131220) is 2-tert-butyl-5-(2-phenylpropyl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-(2-phenylpropyl)pyridine?
The canonical SMILES for 2-tert-butyl-5-(2-phenylpropyl)pyridine is CC(Cc1ccc(C(C)(C)C)nc1)c1ccccc1.
What is the InChIKey of 2-tert-butyl-5-(2-phenylpropyl)pyridine?
The InChIKey is RRMCNPOEGGREJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14(16-8-6-5-7-9-16)12-15-10-11-17(19-13-15)18(2,3)4/h5-11,13-14H,12H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(2-phenylpropyl)pyridine?
2-tert-butyl-5-(2-phenylpropyl)pyridine has a molecular weight of 253.39 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-phenylpropyl)pyridine is sourced from PubChem (CID 170131220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).