2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile

C14H16FN3 — CID 63672782

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NC1CC2CCC(C1)N2
InChIInChI=1S/C14H16FN3/c15-10-1-4-14(9(5-10)8-16)18-13-6-11-2-3-12(7-13)17-11/h1,4-5,11-13,17-18H,2-3,6-7H2
InChIKeySFDLOIWYYOXAKD-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.39
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile

2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile (PubChem CID 63672782) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile
PubChem CID63672782
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NC1CC2CCC(C1)N2
InChIInChI=1S/C14H16FN3/c15-10-1-4-14(9(5-10)8-16)18-13-6-11-2-3-12(7-13)17-11/h1,4-5,11-13,17-18H,2-3,6-7H2
InChIKeySFDLOIWYYOXAKD-UHFFFAOYSA-N
XLogP2.39
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromobenzonitrile
CID 114905423
5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile
CID 103082053
5-fluoro-2-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
CID 79034251
N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 82016005
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzonitrile
CID 63092937
2-[(1,5-dimethylpyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82014852
5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 82015367
5-fluoro-2-[(1-methylazepan-4-yl)amino]benzonitrile
CID 82015465
2-[(2,4-dimethylcyclohexyl)amino]-5-fluorobenzonitrile
CID 63996705
5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile
CID 126791638
3-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-nitrobenzonitrile
CID 104719947
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875711

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile (CID 63672782) is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1NC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile?
The InChIKey is SFDLOIWYYOXAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-10-1-4-14(9(5-10)8-16)18-13-6-11-2-3-12(7-13)17-11/h1,4-5,11-13,17-18H,2-3,6-7H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile?
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile has a molecular weight of 245.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile is sourced from PubChem (CID 63672782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).