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

C17H24ClFN2 — CID 61230545

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C1CC2CCC(C1)N2)C(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H24ClFN2/c1-3-21(15-9-13-5-6-14(10-15)20-13)11(2)12-4-7-17(19)16(18)8-12/h4,7-8,11,13-15,20H,3,5-6,9-10H2,1-2H3
InChIKeyGUKBPYBSGDVONG-UHFFFAOYSA-N
MW310.84 g/mol
LogP4.14
Rot. Bonds4

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

N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230545) has the molecular formula C17H24ClFN2 and a molecular weight of 310.84 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230545
Molecular FormulaC17H24ClFN2
Molecular Weight310.84 g/mol
Exact Mass310.16
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(C1CC2CCC(C1)N2)C(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H24ClFN2/c1-3-21(15-9-13-5-6-14(10-15)20-13)11(2)12-4-7-17(19)16(18)8-12/h4,7-8,11,13-15,20H,3,5-6,9-10H2,1-2H3
InChIKeyGUKBPYBSGDVONG-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231866
N-[1-(3-chlorophenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231118
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233323
N-[(3-chloro-4-fluorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 81155362
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895
N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61230349
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232574
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine
CID 66183997
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230663
N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65316564

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61230545) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(C1CC2CCC(C1)N2)C(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GUKBPYBSGDVONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2/c1-3-21(15-9-13-5-6-14(10-15)20-13)11(2)12-4-7-17(19)16(18)8-12/h4,7-8,11,13-15,20H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 310.84 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).