N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

C17H25FN2 — CID 62713995

IUPACN-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2c1cccc(F)c1C
InChIInChI=1S/C17H25FN2/c1-3-19-13-10-14-6-4-7-15(11-13)20(14)17-9-5-8-16(18)12(17)2/h5,8-9,13-15,19H,3-4,6-7,10-11H2,1-2H3
InChIKeyWOEWOGJAPZOIIX-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.63
Rot. Bonds3

About N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713995) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713995
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2c1cccc(F)c1C
InChIInChI=1S/C17H25FN2/c1-3-19-13-10-14-6-4-7-15(11-13)20(14)17-9-5-8-16(18)12(17)2/h5,8-9,13-15,19H,3-4,6-7,10-11H2,1-2H3
InChIKeyWOEWOGJAPZOIIX-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-bromo-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639351
8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107639352
9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713644
9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714500
9-(4-chloro-2-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714697
9-(2,3-difluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713642
9-(2,3-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106077
N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739476
9-(2,5-dichloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104728325
N-ethyl-9-(4-methylsulfanylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712731
9-(3,5-dichloro-4-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107579272
8-(4-bromo-2,5-difluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107617029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713995) is N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2c1cccc(F)c1C.
What is the InChIKey of N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WOEWOGJAPZOIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-3-19-13-10-14-6-4-7-15(11-13)20(14)17-9-5-8-16(18)12(17)2/h5,8-9,13-15,19H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 276.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(3-fluoro-2-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).