8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H18ClFN2 — CID 107370685

IUPAC8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H18ClFN2/c1-17-11-7-12-2-3-13(8-11)18(12)14-5-9(15)4-10(16)6-14/h4-6,11-13,17H,2-3,7-8H2,1H3
InChIKeyPDFMOZLTSUCEJI-UHFFFAOYSA-N
MW268.76 g/mol
LogP3.20
Rot. Bonds2

About 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107370685) has the molecular formula C14H18ClFN2 and a molecular weight of 268.76 g/mol. Its IUPAC name is 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107370685
Molecular FormulaC14H18ClFN2
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H18ClFN2/c1-17-11-7-12-2-3-13(8-11)18(12)14-5-9(15)4-10(16)6-14/h4-6,11-13,17H,2-3,7-8H2,1H3
InChIKeyPDFMOZLTSUCEJI-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 107370685) is 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2c1cc(F)cc(Cl)c1.
What is the InChIKey of 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PDFMOZLTSUCEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2/c1-17-11-7-12-2-3-13(8-11)18(12)14-5-9(15)4-10(16)6-14/h4-6,11-13,17H,2-3,7-8H2,1H3.
What are the key properties of 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 268.76 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107370685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).