3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol

C24H31NO2 — CID 91027516

IUPAC3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol
SMILESNC1CCCCCC(C2CCc3ccccc3C2Oc2cccc(O)c2)C1
InChIInChI=1S/C24H31NO2/c25-19-9-3-1-2-8-18(15-19)23-14-13-17-7-4-5-12-22(17)24(23)27-21-11-6-10-20(26)16-21/h4-7,10-12,16,18-19,23-24,26H,1-3,8-9,13-15,25H2
InChIKeyAWSFKZOLJNZUEP-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.37
Rot. Bonds3

About 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol

3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol (PubChem CID 91027516) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol.

Molecular Properties

Compound Name3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol
PubChem CID91027516
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol
SMILESNC1CCCCCC(C2CCc3ccccc3C2Oc2cccc(O)c2)C1
InChIInChI=1S/C24H31NO2/c25-19-9-3-1-2-8-18(15-19)23-14-13-17-7-4-5-12-22(17)24(23)27-21-11-6-10-20(26)16-21/h4-7,10-12,16,18-19,23-24,26H,1-3,8-9,13-15,25H2
InChIKeyAWSFKZOLJNZUEP-UHFFFAOYSA-N
XLogP5.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine
CID 91346977
(1S)-3-[(1R,2R)-1-(4-bromo-3-methoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cycloheptan-1-amine
CID 143950608
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284
(1S)-N-methyl-3-[(1R,2R)-1-naphthalen-1-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexan-1-amine
CID 143950948
(1R)-1-(3-ethenyl-5-prop-1-enylphenoxy)-2-[(3R)-3-methylcyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 143950496
N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide
CID 58394230
[2-cyclohexyl-6-[3-[1-(2-methylprop-2-enoyloxy)-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentyl]-1,2,3,4-tetrahydronaphthalen-1-yl] 2,2-dimethylpropanoate
CID 130411183
3-(3-hydroxycyclohexyl)oxyphenol
CID 117095404
3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
CID 76775087
(1R)-1-[(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methylidenecyclohexa-1,3-dien-1-yl]oxy-2-cyclohexyl-1,2,3,4-tetrahydronaphthalene
CID 70908999
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393518

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol?
The IUPAC name of 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol (CID 91027516) is 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol.
What is the SMILES notation for 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol?
The canonical SMILES for 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol is NC1CCCCCC(C2CCc3ccccc3C2Oc2cccc(O)c2)C1.
What is the InChIKey of 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol?
The InChIKey is AWSFKZOLJNZUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c25-19-9-3-1-2-8-18(15-19)23-14-13-17-7-4-5-12-22(17)24(23)27-21-11-6-10-20(26)16-21/h4-7,10-12,16,18-19,23-24,26H,1-3,8-9,13-15,25H2.
What are the key properties of 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol?
3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol has a molecular weight of 365.52 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-aminocyclooctyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenol is sourced from PubChem (CID 91027516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).