[2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine

C13H18N2 — CID 105454737

IUPAC[2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine
SMILESCc1ccccc1N1C2CC(C2)C1CN
InChIInChI=1S/C13H18N2/c1-9-4-2-3-5-12(9)15-11-6-10(7-11)13(15)8-14/h2-5,10-11,13H,6-8,14H2,1H3
InChIKeySLCCEDPRZBXWSF-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.92
Rot. Bonds2

About [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine

[2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine (PubChem CID 105454737) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine
PubChem CID105454737
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine
SMILESCc1ccccc1N1C2CC(C2)C1CN
InChIInChI=1S/C13H18N2/c1-9-4-2-3-5-12(9)15-11-6-10(7-11)13(15)8-14/h2-5,10-11,13H,6-8,14H2,1H3
InChIKeySLCCEDPRZBXWSF-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine?
The IUPAC name of [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine (CID 105454737) is [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine.
What is the SMILES notation for [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine?
The canonical SMILES for [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine is Cc1ccccc1N1C2CC(C2)C1CN.
What is the InChIKey of [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine?
The InChIKey is SLCCEDPRZBXWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-4-2-3-5-12(9)15-11-6-10(7-11)13(15)8-14/h2-5,10-11,13H,6-8,14H2,1H3.
What are the key properties of [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine?
[2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)-2-azabicyclo[2.1.1]hexan-3-yl]methanamine is sourced from PubChem (CID 105454737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).