1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol

C17H24FNO — CID 150617333

IUPAC1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESCc1c(F)cccc1C(O)CC1CC2CCC(C1)N2C
InChIInChI=1S/C17H24FNO/c1-11-15(4-3-5-16(11)18)17(20)10-12-8-13-6-7-14(9-12)19(13)2/h3-5,12-14,17,20H,6-10H2,1-2H3
InChIKeyIVDZCCJBZDXUKV-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol

1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol (PubChem CID 150617333) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
PubChem CID150617333
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESCc1c(F)cccc1C(O)CC1CC2CCC(C1)N2C
InChIInChI=1S/C17H24FNO/c1-11-15(4-3-5-16(11)18)17(20)10-12-8-13-6-7-14(9-12)19(13)2/h3-5,12-14,17,20H,6-10H2,1-2H3
InChIKeyIVDZCCJBZDXUKV-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol with MolForge

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Related Compounds

2-amino-1-(3-fluoro-2-methylphenyl)ethanol
CID 83695306
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
CID 107103370
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
N-(2,6-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131807
1-(3-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789811
N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 61011641
(2,6-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681101
8-fluoro-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 174236267
(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 106645178
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol (CID 150617333) is 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol is Cc1c(F)cccc1C(O)CC1CC2CCC(C1)N2C.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The InChIKey is IVDZCCJBZDXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-11-15(4-3-5-16(11)18)17(20)10-12-8-13-6-7-14(9-12)19(13)2/h3-5,12-14,17,20H,6-10H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol has a molecular weight of 277.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol is sourced from PubChem (CID 150617333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).