[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol

C16H23FN2O — CID 79046102

IUPAC[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCc1cc(F)cc(NC2(CO)CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H23FN2O/c1-11-5-12(17)7-13(6-11)18-16(10-20)8-14-3-4-15(9-16)19(14)2/h5-7,14-15,18,20H,3-4,8-10H2,1-2H3
InChIKeyHEBMLUNWGWWIHQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.53
Rot. Bonds3

About [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol

[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol (PubChem CID 79046102) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
PubChem CID79046102
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCc1cc(F)cc(NC2(CO)CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H23FN2O/c1-11-5-12(17)7-13(6-11)18-16(10-20)8-14-3-4-15(9-16)19(14)2/h5-7,14-15,18,20H,3-4,8-10H2,1-2H3
InChIKeyHEBMLUNWGWWIHQ-UHFFFAOYSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol
CID 103564816
[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol
CID 79050341
[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049390
[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol
CID 79049543
[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049855
[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61047647
8-methyl-3-(2,4,6-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962515
[8-methyl-3-(2-methylpropylamino)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61054946
8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962490
2-(3-fluoro-5-methylanilino)bicyclo[3.1.0]hexane-2-carboxylic acid
CID 112740302
1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 79049577
1-(3-fluoro-5-methylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 79050444

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The IUPAC name of [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol (CID 79046102) is [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol.
What is the SMILES notation for [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The canonical SMILES for [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol is Cc1cc(F)cc(NC2(CO)CC3CCC(C2)N3C)c1.
What is the InChIKey of [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The InChIKey is HEBMLUNWGWWIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11-5-12(17)7-13(6-11)18-16(10-20)8-14-3-4-15(9-16)19(14)2/h5-7,14-15,18,20H,3-4,8-10H2,1-2H3.
What are the key properties of [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol has a molecular weight of 278.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol is sourced from PubChem (CID 79046102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).