3-(2-phenylpropyl)-4-propan-2-ylpyridine

C17H21N — CID 138726137

IUPAC3-(2-phenylpropyl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1CC(C)c1ccccc1
InChIInChI=1S/C17H21N/c1-13(2)17-9-10-18-12-16(17)11-14(3)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3
InChIKeyXTLSQTYHQXEPNC-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.55
Rot. Bonds4

About 3-(2-phenylpropyl)-4-propan-2-ylpyridine

3-(2-phenylpropyl)-4-propan-2-ylpyridine (PubChem CID 138726137) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(2-phenylpropyl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(2-phenylpropyl)-4-propan-2-ylpyridine
PubChem CID138726137
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-(2-phenylpropyl)-4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1CC(C)c1ccccc1
InChIInChI=1S/C17H21N/c1-13(2)17-9-10-18-12-16(17)11-14(3)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3
InChIKeyXTLSQTYHQXEPNC-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628
3-ethyl-4-(4-methyl-5-phenylhexan-2-yl)pyridine
CID 19783351
1-(4-methyl-3-pyridinyl)-3-phenylbutan-1-ol
CID 66273094
[3-(hydroxymethyl)-4-pyridinyl]-phenylmethanol
CID 59205218
1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
4-(bromomethyl)-3-propan-2-ylpyridine
CID 131699764
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
3-(4-amino-3-pyridinyl)-2-phenylpropanoic acid
CID 81009067
3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756787
2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
CID 84662951

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropyl)-4-propan-2-ylpyridine?
The IUPAC name of 3-(2-phenylpropyl)-4-propan-2-ylpyridine (CID 138726137) is 3-(2-phenylpropyl)-4-propan-2-ylpyridine.
What is the SMILES notation for 3-(2-phenylpropyl)-4-propan-2-ylpyridine?
The canonical SMILES for 3-(2-phenylpropyl)-4-propan-2-ylpyridine is CC(C)c1ccncc1CC(C)c1ccccc1.
What is the InChIKey of 3-(2-phenylpropyl)-4-propan-2-ylpyridine?
The InChIKey is XTLSQTYHQXEPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13(2)17-9-10-18-12-16(17)11-14(3)15-7-5-4-6-8-15/h4-10,12-14H,11H2,1-3H3.
What are the key properties of 3-(2-phenylpropyl)-4-propan-2-ylpyridine?
3-(2-phenylpropyl)-4-propan-2-ylpyridine has a molecular weight of 239.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropyl)-4-propan-2-ylpyridine is sourced from PubChem (CID 138726137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).