3-(1-phenoxypropyl)pyridine

C14H15NO — CID 57251428

IUPAC3-(1-phenoxypropyl)pyridine
SMILESCCC(Oc1ccccc1)c1cccnc1
InChIInChI=1S/C14H15NO/c1-2-14(12-7-6-10-15-11-12)16-13-8-4-3-5-9-13/h3-11,14H,2H2,1H3
InChIKeyMRRGQXNLLDPGKQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.61
Rot. Bonds4

About 3-(1-phenoxypropyl)pyridine

3-(1-phenoxypropyl)pyridine (PubChem CID 57251428) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(1-phenoxypropyl)pyridine.

Molecular Properties

Compound Name3-(1-phenoxypropyl)pyridine
PubChem CID57251428
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-(1-phenoxypropyl)pyridine
SMILESCCC(Oc1ccccc1)c1cccnc1
InChIInChI=1S/C14H15NO/c1-2-14(12-7-6-10-15-11-12)16-13-8-4-3-5-9-13/h3-11,14H,2H2,1H3
InChIKeyMRRGQXNLLDPGKQ-UHFFFAOYSA-N
XLogP3.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-phenoxypropyl)pyridazine
CID 67744203
4-(3-hydroxy-1-pyridin-3-ylbutoxy)phenol
CID 67621990
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine
CID 107722734
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
2-[3-(1-pyridin-3-ylpropyl)phenoxy]acetic acid
CID 173328549
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-(2-pyridin-3-ylbutyl)pyridine
CID 123892989
2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
CID 106446864
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenoxypropyl)pyridine?
The IUPAC name of 3-(1-phenoxypropyl)pyridine (CID 57251428) is 3-(1-phenoxypropyl)pyridine.
What is the SMILES notation for 3-(1-phenoxypropyl)pyridine?
The canonical SMILES for 3-(1-phenoxypropyl)pyridine is CCC(Oc1ccccc1)c1cccnc1.
What is the InChIKey of 3-(1-phenoxypropyl)pyridine?
The InChIKey is MRRGQXNLLDPGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-14(12-7-6-10-15-11-12)16-13-8-4-3-5-9-13/h3-11,14H,2H2,1H3.
What are the key properties of 3-(1-phenoxypropyl)pyridine?
3-(1-phenoxypropyl)pyridine has a molecular weight of 213.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenoxypropyl)pyridine is sourced from PubChem (CID 57251428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).