3-pentan-2-yl-5-phenylmethoxypyridine

C17H21NO — CID 166644961

IUPAC3-pentan-2-yl-5-phenylmethoxypyridine
SMILESCCCC(C)c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-3-7-14(2)16-10-17(12-18-11-16)19-13-15-8-5-4-6-9-15/h4-6,8-12,14H,3,7,13H2,1-2H3
InChIKeyRLVPQWLOODTURT-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.56
Rot. Bonds6

About 3-pentan-2-yl-5-phenylmethoxypyridine

3-pentan-2-yl-5-phenylmethoxypyridine (PubChem CID 166644961) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-pentan-2-yl-5-phenylmethoxypyridine.

Molecular Properties

Compound Name3-pentan-2-yl-5-phenylmethoxypyridine
PubChem CID166644961
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-pentan-2-yl-5-phenylmethoxypyridine
SMILESCCCC(C)c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-3-7-14(2)16-10-17(12-18-11-16)19-13-15-8-5-4-6-9-15/h4-6,8-12,14H,3,7,13H2,1-2H3
InChIKeyRLVPQWLOODTURT-UHFFFAOYSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-pentan-2-yl-5-phenylmethoxypyridine 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

3-(difluoromethoxy)-5-pentan-2-ylpyridine
CID 166854522
N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide
CID 170831077
tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate
CID 78058335
5-phenylmethoxypyridin-3-amine
CID 22989735
3-bromo-5-phenylmethoxypyridine
CID 15389198
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469
N-methyl-5-phenylmethoxypyridine-3-carboxamide
CID 123214761
[2-phenyl-1-(5-propoxy-3-pyridinyl)ethyl]hydrazine
CID 105195381
1-[1-[3,5-bis(phenylmethoxy)phenyl]ethyl]imidazole
CID 172603383

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-5-phenylmethoxypyridine?
The IUPAC name of 3-pentan-2-yl-5-phenylmethoxypyridine (CID 166644961) is 3-pentan-2-yl-5-phenylmethoxypyridine.
What is the SMILES notation for 3-pentan-2-yl-5-phenylmethoxypyridine?
The canonical SMILES for 3-pentan-2-yl-5-phenylmethoxypyridine is CCCC(C)c1cncc(OCc2ccccc2)c1.
What is the InChIKey of 3-pentan-2-yl-5-phenylmethoxypyridine?
The InChIKey is RLVPQWLOODTURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-7-14(2)16-10-17(12-18-11-16)19-13-15-8-5-4-6-9-15/h4-6,8-12,14H,3,7,13H2,1-2H3.
What are the key properties of 3-pentan-2-yl-5-phenylmethoxypyridine?
3-pentan-2-yl-5-phenylmethoxypyridine has a molecular weight of 255.36 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-5-phenylmethoxypyridine is sourced from PubChem (CID 166644961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).