4-(3-phenoxybutan-2-yl)pyridine

C15H17NO — CID 91015504

IUPAC4-(3-phenoxybutan-2-yl)pyridine
SMILESCC(Oc1ccccc1)C(C)c1ccncc1
InChIInChI=1S/C15H17NO/c1-12(14-8-10-16-11-9-14)13(2)17-15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyHCMIQBGUNRZILB-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.65
Rot. Bonds4

About 4-(3-phenoxybutan-2-yl)pyridine

4-(3-phenoxybutan-2-yl)pyridine (PubChem CID 91015504) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3-phenoxybutan-2-yl)pyridine.

Molecular Properties

Compound Name4-(3-phenoxybutan-2-yl)pyridine
PubChem CID91015504
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(3-phenoxybutan-2-yl)pyridine
SMILESCC(Oc1ccccc1)C(C)c1ccncc1
InChIInChI=1S/C15H17NO/c1-12(14-8-10-16-11-9-14)13(2)17-15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyHCMIQBGUNRZILB-UHFFFAOYSA-N
XLogP3.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-phenoxybutan-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
4-propan-2-yloxypyridine
CID 4527576
4-(3-bromo-5-phenylpentan-2-yl)pyridine
CID 66452661
1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine
CID 66448702
4-benzhydrylpyridine;ethane
CID 90843990
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
phenyl N-[(1S)-1-pyridin-4-ylethyl]carbamate
CID 81409571
4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247669

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxybutan-2-yl)pyridine?
The IUPAC name of 4-(3-phenoxybutan-2-yl)pyridine (CID 91015504) is 4-(3-phenoxybutan-2-yl)pyridine.
What is the SMILES notation for 4-(3-phenoxybutan-2-yl)pyridine?
The canonical SMILES for 4-(3-phenoxybutan-2-yl)pyridine is CC(Oc1ccccc1)C(C)c1ccncc1.
What is the InChIKey of 4-(3-phenoxybutan-2-yl)pyridine?
The InChIKey is HCMIQBGUNRZILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12(14-8-10-16-11-9-14)13(2)17-15-6-4-3-5-7-15/h3-13H,1-2H3.
What are the key properties of 4-(3-phenoxybutan-2-yl)pyridine?
4-(3-phenoxybutan-2-yl)pyridine has a molecular weight of 227.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxybutan-2-yl)pyridine is sourced from PubChem (CID 91015504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).