1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide

C19H22BrNO2 — CID 90673746

IUPAC1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide
SMILESBr.CN1CCC2(c3ccc(O)cc3)CC1Cc1ccc(O)cc12
InChIInChI=1S/C19H21NO2.BrH/c1-20-9-8-19(14-3-6-16(21)7-4-14)12-15(20)10-13-2-5-17(22)11-18(13)19;/h2-7,11,15,21-22H,8-10,12H2,1H3;1H
InChIKeyYDAACYQDAKJGEG-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.61
Rot. Bonds1

About 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide

1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide (PubChem CID 90673746) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide
PubChem CID90673746
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide
SMILESBr.CN1CCC2(c3ccc(O)cc3)CC1Cc1ccc(O)cc12
InChIInChI=1S/C19H21NO2.BrH/c1-20-9-8-19(14-3-6-16(21)7-4-14)12-15(20)10-13-2-5-17(22)11-18(13)19;/h2-7,11,15,21-22H,8-10,12H2,1H3;1H
InChIKeyYDAACYQDAKJGEG-UHFFFAOYSA-N
XLogP3.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 166025257
ethyl 3-(4-hydroxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)propanoate
CID 90674006
(1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
CID 11183301
(1S,13S)-13-ethyl-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 90679076
(1R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
CID 90679099
(1S,9R,12R)-4-hydroxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one
CID 13005865
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
CID 76961759
4-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
CID 57485516
(1R,9S,10S,13S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,13-diol
CID 162462697
(1R,9R,13R)-10,13-dimethyl-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 90673967
(1R,9S,13S)-1-ethyl-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 3048844
(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 5390113

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide?
The IUPAC name of 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide (CID 90673746) is 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide.
What is the SMILES notation for 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide?
The canonical SMILES for 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide is Br.CN1CCC2(c3ccc(O)cc3)CC1Cc1ccc(O)cc12.
What is the InChIKey of 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide?
The InChIKey is YDAACYQDAKJGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.BrH/c1-20-9-8-19(14-3-6-16(21)7-4-14)12-15(20)10-13-2-5-17(22)11-18(13)19;/h2-7,11,15,21-22H,8-10,12H2,1H3;1H.
What are the key properties of 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide?
1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide has a molecular weight of 376.29 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrobromide is sourced from PubChem (CID 90673746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).