N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine

C16H21NO — CID 134158691

IUPACN-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine
SMILESC=CCOC1C2CCC(C2)C1Nc1ccccc1
InChIInChI=1S/C16H21NO/c1-2-10-18-16-13-9-8-12(11-13)15(16)17-14-6-4-3-5-7-14/h2-7,12-13,15-17H,1,8-11H2
InChIKeyCFUVXCGLRJWMGL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.47
Rot. Bonds5

About N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine

N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine (PubChem CID 134158691) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine
PubChem CID134158691
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine
SMILESC=CCOC1C2CCC(C2)C1Nc1ccccc1
InChIInChI=1S/C16H21NO/c1-2-10-18-16-13-9-8-12(11-13)15(16)17-14-6-4-3-5-7-14/h2-7,12-13,15-17H,1,8-11H2
InChIKeyCFUVXCGLRJWMGL-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine (CID 134158691) is N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine is C=CCOC1C2CCC(C2)C1Nc1ccccc1.
What is the InChIKey of N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine?
The InChIKey is CFUVXCGLRJWMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-10-18-16-13-9-8-12(11-13)15(16)17-14-6-4-3-5-7-14/h2-7,12-13,15-17H,1,8-11H2.
What are the key properties of N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine?
N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-prop-2-enoxybicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 134158691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).