2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

C15H21FN2 — CID 62135825

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CC2CCC1C2
InChIInChI=1S/C15H21FN2/c1-10-6-12(16)3-5-14(10)15(8-17)18-9-11-2-4-13(18)7-11/h3,5-6,11,13,15H,2,4,7-9,17H2,1H3
InChIKeyPLQCMBYYNJGGHK-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 62135825) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID62135825
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CC2CCC1C2
InChIInChI=1S/C15H21FN2/c1-10-6-12(16)3-5-14(10)15(8-17)18-9-11-2-4-13(18)7-11/h3,5-6,11,13,15H,2,4,7-9,17H2,1H3
InChIKeyPLQCMBYYNJGGHK-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine
CID 54980475
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine
CID 54980957
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474831
2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62134804
2-(2,5-dimethylmorpholin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62135309
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 115350848
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine
CID 115959540
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62134810
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63172035
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62136337

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 62135825) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1C(CN)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is PLQCMBYYNJGGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-10-6-12(16)3-5-14(10)15(8-17)18-9-11-2-4-13(18)7-11/h3,5-6,11,13,15H,2,4,7-9,17H2,1H3.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 248.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 62135825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).