N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H23FN2 — CID 61232574

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1ccc(F)cc1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H23FN2/c1-11(12-3-5-13(17)6-4-12)19(2)16-9-14-7-8-15(10-16)18-14/h3-6,11,14-16,18H,7-10H2,1-2H3
InChIKeyRRKRTLDMHKHHSO-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.10
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232574) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232574
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1ccc(F)cc1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H23FN2/c1-11(12-3-5-13(17)6-4-12)19(2)16-9-14-7-8-15(10-16)18-14/h3-6,11,14-16,18H,7-10H2,1-2H3
InChIKeyRRKRTLDMHKHHSO-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233323
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230663
N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836447
N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231236
N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114832258
N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231866
N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231048
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737221
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230545
N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 113486991
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83109805
N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 116535628

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61232574) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CC(c1ccc(F)cc1)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is RRKRTLDMHKHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-11(12-3-5-13(17)6-4-12)19(2)16-9-14-7-8-15(10-16)18-14/h3-6,11,14-16,18H,7-10H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).