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

C15H18ClF3N2 — CID 116700846

IUPAC8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2/c1-20-11-7-12-2-3-13(8-11)21(12)14-5-9(15(17,18)19)4-10(16)6-14/h4-6,11-13,20H,2-3,7-8H2,1H3
InChIKeyAHYBWTLAHXIBJP-UHFFFAOYSA-N
MW318.77 g/mol
LogP4.08
Rot. Bonds2

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

8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 116700846) has the molecular formula C15H18ClF3N2 and a molecular weight of 318.77 g/mol. Its IUPAC name is 8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID116700846
Molecular FormulaC15H18ClF3N2
Molecular Weight318.77 g/mol
Exact Mass318.11
IUPAC Name8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2/c1-20-11-7-12-2-3-13(8-11)21(12)14-5-9(15(17,18)19)4-10(16)6-14/h4-6,11-13,20H,2-3,7-8H2,1H3
InChIKeyAHYBWTLAHXIBJP-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107370685
8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106091
8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738935
N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62812956
8-(4-fluoro-3-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62813641
8-(4-chloro-2-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741072
9-(3-chloro-5-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107370684
8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739961
8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739478
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine
CID 6928964
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713614

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 116700846) is 8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AHYBWTLAHXIBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2/c1-20-11-7-12-2-3-13(8-11)21(12)14-5-9(15(17,18)19)4-10(16)6-14/h4-6,11-13,20H,2-3,7-8H2,1H3.
What are the key properties of 8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[3-chloro-5-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 318.77 g/mol, XLogP of 4.08, 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-(trifluoromethyl)phenyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 116700846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).