1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane

C14H19N — CID 84776446

IUPAC1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane
SMILESCc1ccc(CC23CCC2CNC3)cc1
InChIInChI=1S/C14H19N/c1-11-2-4-12(5-3-11)8-14-7-6-13(14)9-15-10-14/h2-5,13,15H,6-10H2,1H3
InChIKeyKHRUSVGQOHBLPX-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.54
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane

1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane (PubChem CID 84776446) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane
PubChem CID84776446
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane
SMILESCc1ccc(CC23CCC2CNC3)cc1
InChIInChI=1S/C14H19N/c1-11-2-4-12(5-3-11)8-14-7-6-13(14)9-15-10-14/h2-5,13,15H,6-10H2,1H3
InChIKeyKHRUSVGQOHBLPX-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-azabicyclo[3.2.0]heptane
CID 84778581
4-(3-azabicyclo[3.2.0]heptan-1-ylmethyl)phenol
CID 84777454
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.1]heptane
CID 84776450
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane
CID 84784252
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 84770532
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392851
3-(1-benzylcyclopropyl)pyrrolidine
CID 83908409
1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84780048
1-(2-methylpropyl)-3-azabicyclo[3.2.0]heptane
CID 84763447
3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493
4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 22628376

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane (CID 84776446) is 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane is Cc1ccc(CC23CCC2CNC3)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane?
The InChIKey is KHRUSVGQOHBLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-2-4-12(5-3-11)8-14-7-6-13(14)9-15-10-14/h2-5,13,15H,6-10H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane?
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane has a molecular weight of 201.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 84776446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).