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

C15H20ClFN2 — CID 62740542

IUPAC8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2/c1-18-11-7-12-3-4-13(8-11)19(12)9-10-2-5-15(17)14(16)6-10/h2,5-6,11-13,18H,3-4,7-9H2,1H3
InChIKeyMYGGLMYFZONJMB-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.19
Rot. Bonds3

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

8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740542) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740542
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2/c1-18-11-7-12-3-4-13(8-11)19(12)9-10-2-5-15(17)14(16)6-10/h2,5-6,11-13,18H,3-4,7-9H2,1H3
InChIKeyMYGGLMYFZONJMB-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106516
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107251
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
N-methyl-8-[(6-methyl-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62992548
4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 103037922
[(1R,2R,4S)-7-[(3-chloro-4-fluorophenyl)methyl]-2-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanol
CID 146044149
8-(4-chloro-2-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741072
9-[(2,4-difluorophenyl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712049
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55236052
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62740542) is 8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MYGGLMYFZONJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c1-18-11-7-12-3-4-13(8-11)19(12)9-10-2-5-15(17)14(16)6-10/h2,5-6,11-13,18H,3-4,7-9H2,1H3.
What are the key properties of 8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 282.79 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).