[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol

C16H22BrNO — CID 43628365

IUPAC[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol
SMILESOCc1ccc(Br)cc1N1CCCC2CCCCC21
InChIInChI=1S/C16H22BrNO/c17-14-8-7-13(11-19)16(10-14)18-9-3-5-12-4-1-2-6-15(12)18/h7-8,10,12,15,19H,1-6,9,11H2
InChIKeyUXMILVRUYUXAJC-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.10
Rot. Bonds2

About [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol (PubChem CID 43628365) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol.

Molecular Properties

Compound Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol
PubChem CID43628365
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol
SMILESOCc1ccc(Br)cc1N1CCCC2CCCCC21
InChIInChI=1S/C16H22BrNO/c17-14-8-7-13(11-19)16(10-14)18-9-3-5-12-4-1-2-6-15(12)18/h7-8,10,12,15,19H,1-6,9,11H2
InChIKeyUXMILVRUYUXAJC-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol with MolForge

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Related Compounds

1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-bromophenyl]propan-2-amine
CID 65322122
1-[5-bromo-2-(hydroxymethyl)phenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196814
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-bromophenyl]methanamine
CID 102725431
[4-bromo-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanol
CID 81199227
1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
CID 43365039
1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 82967867
3-[1-[4-bromo-2-(hydroxymethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 114061400
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
[1-[5-bromo-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61411184
[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 61242440
[5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 114920343
[1-[5-bromo-2-(methylaminomethyl)phenyl]azepan-2-yl]methanol
CID 116635480

Frequently Asked Questions

What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol?
The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol (CID 43628365) is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol.
What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol?
The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol is OCc1ccc(Br)cc1N1CCCC2CCCCC21.
What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol?
The InChIKey is UXMILVRUYUXAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-14-8-7-13(11-19)16(10-14)18-9-3-5-12-4-1-2-6-15(12)18/h7-8,10,12,15,19H,1-6,9,11H2.
What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol?
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol has a molecular weight of 324.26 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol is sourced from PubChem (CID 43628365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).