8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H24N2 — CID 62739961

IUPAC8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2/c1-11-4-5-14(8-12(11)2)18-15-6-7-16(18)10-13(9-15)17-3/h4-5,8,13,15-17H,6-7,9-10H2,1-3H3
InChIKeyUALLVZBYIYHVQH-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.02
Rot. Bonds2

About 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739961) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739961
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2/c1-11-4-5-14(8-12(11)2)18-15-6-7-16(18)10-13(9-15)17-3/h4-5,8,13,15-17H,6-7,9-10H2,1-3H3
InChIKeyUALLVZBYIYHVQH-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739961) is 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2c1ccc(C)c(C)c1.
What is the InChIKey of 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UALLVZBYIYHVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-4-5-14(8-12(11)2)18-15-6-7-16(18)10-13(9-15)17-3/h4-5,8,13,15-17H,6-7,9-10H2,1-3H3.
What are the key properties of 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 244.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).