2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine

C22H29NO — CID 130437956

IUPAC2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine
SMILESCCC1CCc2cc(OCc3ccccn3)ccc2C1C(C)(C)C
InChIInChI=1S/C22H29NO/c1-5-16-9-10-17-14-19(24-15-18-8-6-7-13-23-18)11-12-20(17)21(16)22(2,3)4/h6-8,11-14,16,21H,5,9-10,15H2,1-4H3
InChIKeyDRQNFBKOLZPAAY-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.76
Rot. Bonds4

About 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine

2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine (PubChem CID 130437956) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine
PubChem CID130437956
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine
SMILESCCC1CCc2cc(OCc3ccccn3)ccc2C1C(C)(C)C
InChIInChI=1S/C22H29NO/c1-5-16-9-10-17-14-19(24-15-18-8-6-7-13-23-18)11-12-20(17)21(16)22(2,3)4/h6-8,11-14,16,21H,5,9-10,15H2,1-4H3
InChIKeyDRQNFBKOLZPAAY-UHFFFAOYSA-N
XLogP5.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine
CID 118894139
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
5-[(5-bromo-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684678
2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide
CID 163392634
3-(pyridin-2-ylmethoxy)benzenethiol
CID 143173628
N-ethyl-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(pyridin-2-ylmethyl)aniline
CID 66626931
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684595
(3R,4S)-6-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-ol
CID 67591819
7-methoxy-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510271
6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647734

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine?
The IUPAC name of 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine (CID 130437956) is 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine.
What is the SMILES notation for 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine?
The canonical SMILES for 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine is CCC1CCc2cc(OCc3ccccn3)ccc2C1C(C)(C)C.
What is the InChIKey of 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine?
The InChIKey is DRQNFBKOLZPAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-5-16-9-10-17-14-19(24-15-18-8-6-7-13-23-18)11-12-20(17)21(16)22(2,3)4/h6-8,11-14,16,21H,5,9-10,15H2,1-4H3.
What are the key properties of 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine?
2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine has a molecular weight of 323.48 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-6-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine is sourced from PubChem (CID 130437956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).