1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C16H23ClN2 — CID 112681183

IUPAC1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H23ClN2/c1-18-16(14-5-3-4-6-15(14)17)11-9-12-7-8-13(10-11)19(12)2/h3-6,11-13,16,18H,7-10H2,1-2H3
InChIKeyFDYABLRVJLJGNM-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 112681183) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID112681183
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H23ClN2/c1-18-16(14-5-3-4-6-15(14)17)11-9-12-7-8-13(10-11)19(12)2/h3-6,11-13,16,18H,7-10H2,1-2H3
InChIKeyFDYABLRVJLJGNM-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680913
1-(3-chlorothiophen-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 107360141
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115998083
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 107513778
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 115998144
[(2,5-dichlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265806
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998167
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196
1-(2-chlorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 65403390
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998070
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
[(2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265688

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 112681183) is 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CNC(c1ccccc1Cl)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is FDYABLRVJLJGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-18-16(14-5-3-4-6-15(14)17)11-9-12-7-8-13(10-11)19(12)2/h3-6,11-13,16,18H,7-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 278.83 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 112681183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).