8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H22N2O — CID 114016658

IUPAC8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(N2C3CCC2CC(O)C3)c(CN)c1
InChIInChI=1S/C15H22N2O/c1-10-2-5-15(11(6-10)9-16)17-12-3-4-13(17)8-14(18)7-12/h2,5-6,12-14,18H,3-4,7-9,16H2,1H3
InChIKeyTZYDGXQBGFUSIE-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds2

About 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 114016658) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID114016658
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(N2C3CCC2CC(O)C3)c(CN)c1
InChIInChI=1S/C15H22N2O/c1-10-2-5-15(11(6-10)9-16)17-12-3-4-13(17)8-14(18)7-12/h2,5-6,12-14,18H,3-4,7-9,16H2,1H3
InChIKeyTZYDGXQBGFUSIE-UHFFFAOYSA-N
XLogP1.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 114016658) is 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1ccc(N2C3CCC2CC(O)C3)c(CN)c1.
What is the InChIKey of 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is TZYDGXQBGFUSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-2-5-15(11(6-10)9-16)17-12-3-4-13(17)8-14(18)7-12/h2,5-6,12-14,18H,3-4,7-9,16H2,1H3.
What are the key properties of 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 246.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(aminomethyl)-4-methylphenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 114016658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).