3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine

C17H17NOS — CID 70246135

IUPAC3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine
SMILESC1=C(Cc2cccs2)NCC(OCc2ccccc2)=C1
InChIInChI=1S/C17H17NOS/c1-2-5-14(6-3-1)13-19-16-9-8-15(18-12-16)11-17-7-4-10-20-17/h1-10,18H,11-13H2
InChIKeyKYNWBQKEAIVRNK-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.88
Rot. Bonds5

About 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine

3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine (PubChem CID 70246135) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine
PubChem CID70246135
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine
SMILESC1=C(Cc2cccs2)NCC(OCc2ccccc2)=C1
InChIInChI=1S/C17H17NOS/c1-2-5-14(6-3-1)13-19-16-9-8-15(18-12-16)11-17-7-4-10-20-17/h1-10,18H,11-13H2
InChIKeyKYNWBQKEAIVRNK-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]piperidine;thiophene
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[1-[2-[(3-Fluorophenyl)methyl-methylamino]ethoxy]-4-imino-1-(3-methylthiophen-2-yl)but-2-en-2-yl]-methylazanium
CID 163630641
(2S)-3-[(4-fluorophenyl)methoxy]-2-(thiophen-3-ylmethyl)-1,2-dihydropyrrol-5-one
CID 178950035
(2S)-3-[(4-fluorophenyl)methoxy]-2-(thiophen-2-ylmethyl)-1,2-dihydropyrrol-5-one
CID 178950071
(4S,5S)-2,2-dimethyl-4-phenyl-N-[(2S)-4-thiophen-2-ylbut-3-yn-2-yl]-1,3-dioxan-5-amine
CID 15188397
2-[(2-fluorophenyl)methoxy]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63934959
2-[(2-fluorophenyl)methoxy]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine?
The IUPAC name of 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine (CID 70246135) is 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine is C1=C(Cc2cccs2)NCC(OCc2ccccc2)=C1.
What is the InChIKey of 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine?
The InChIKey is KYNWBQKEAIVRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-5-14(6-3-1)13-19-16-9-8-15(18-12-16)11-17-7-4-10-20-17/h1-10,18H,11-13H2.
What are the key properties of 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine?
3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine has a molecular weight of 283.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-6-(thiophen-2-ylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 70246135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).