2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C14H19NO — CID 65421174

IUPAC2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(CC2(N)CC3CCC2O3)cc1
InChIInChI=1S/C14H19NO/c1-10-2-4-11(5-3-10)8-14(15)9-12-6-7-13(14)16-12/h2-5,12-13H,6-9,15H2,1H3
InChIKeyPHZZIMIQWNZUBU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.19
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 65421174) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID65421174
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(CC2(N)CC3CCC2O3)cc1
InChIInChI=1S/C14H19NO/c1-10-2-4-11(5-3-10)8-14(15)9-12-6-7-13(14)16-12/h2-5,12-13H,6-9,15H2,1H3
InChIKeyPHZZIMIQWNZUBU-UHFFFAOYSA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 65421174) is 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Cc1ccc(CC2(N)CC3CCC2O3)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is PHZZIMIQWNZUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-2-4-11(5-3-10)8-14(15)9-12-6-7-13(14)16-12/h2-5,12-13H,6-9,15H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65421174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).