N-phenylbicyclo[3.2.1]octan-2-amine

C14H19N — CID 13239319

IUPACN-phenylbicyclo[3.2.1]octan-2-amine
SMILESc1ccc(NC2CCC3CCC2C3)cc1
InChIInChI=1S/C14H19N/c1-2-4-13(5-3-1)15-14-9-7-11-6-8-12(14)10-11/h1-5,11-12,14-15H,6-10H2
InChIKeyTWTCDXQDSCYCMJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.68
Rot. Bonds2

About N-phenylbicyclo[3.2.1]octan-2-amine

N-phenylbicyclo[3.2.1]octan-2-amine (PubChem CID 13239319) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-phenylbicyclo[3.2.1]octan-2-amine.

Molecular Properties

Compound NameN-phenylbicyclo[3.2.1]octan-2-amine
PubChem CID13239319
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-phenylbicyclo[3.2.1]octan-2-amine
SMILESc1ccc(NC2CCC3CCC2C3)cc1
InChIInChI=1S/C14H19N/c1-2-4-13(5-3-1)15-14-9-7-11-6-8-12(14)10-11/h1-5,11-12,14-15H,6-10H2
InChIKeyTWTCDXQDSCYCMJ-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenylbicyclo[3.2.1]octan-2-amine?
The IUPAC name of N-phenylbicyclo[3.2.1]octan-2-amine (CID 13239319) is N-phenylbicyclo[3.2.1]octan-2-amine.
What is the SMILES notation for N-phenylbicyclo[3.2.1]octan-2-amine?
The canonical SMILES for N-phenylbicyclo[3.2.1]octan-2-amine is c1ccc(NC2CCC3CCC2C3)cc1.
What is the InChIKey of N-phenylbicyclo[3.2.1]octan-2-amine?
The InChIKey is TWTCDXQDSCYCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-4-13(5-3-1)15-14-9-7-11-6-8-12(14)10-11/h1-5,11-12,14-15H,6-10H2.
What are the key properties of N-phenylbicyclo[3.2.1]octan-2-amine?
N-phenylbicyclo[3.2.1]octan-2-amine has a molecular weight of 201.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbicyclo[3.2.1]octan-2-amine is sourced from PubChem (CID 13239319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).