(1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene

C20H21N — CID 135070758

IUPAC(1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene
SMILESc1ccc(C2Nc3ccccc3[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)cc1
InChIInChI=1S/C20H21N/c1-2-6-13(7-3-1)20-19-15-11-10-14(12-15)18(19)16-8-4-5-9-17(16)21-20/h1-9,14-15,18-21H,10-12H2/t14-,15+,18-,19-,20?/m1/s1
InChIKeyGYEZPBNXFUXCOP-ZXPBAKGESA-N
MW275.40 g/mol
LogP4.98
Rot. Bonds1

About (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene

(1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene (PubChem CID 135070758) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene.

Molecular Properties

Compound Name(1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene
PubChem CID135070758
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name(1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene
SMILESc1ccc(C2Nc3ccccc3[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)cc1
InChIInChI=1S/C20H21N/c1-2-6-13(7-3-1)20-19-15-11-10-14(12-15)18(19)16-8-4-5-9-17(16)21-20/h1-9,14-15,18-21H,10-12H2/t14-,15+,18-,19-,20?/m1/s1
InChIKeyGYEZPBNXFUXCOP-ZXPBAKGESA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene?
The IUPAC name of (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene (CID 135070758) is (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene.
What is the SMILES notation for (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene?
The canonical SMILES for (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene is c1ccc(C2Nc3ccccc3[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23)cc1.
What is the InChIKey of (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene?
The InChIKey is GYEZPBNXFUXCOP-ZXPBAKGESA-N. The full InChI is InChI=1S/C20H21N/c1-2-6-13(7-3-1)20-19-15-11-10-14(12-15)18(19)16-8-4-5-9-17(16)21-20/h1-9,14-15,18-21H,10-12H2/t14-,15+,18-,19-,20?/m1/s1.
What are the key properties of (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene?
(1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene has a molecular weight of 275.40 g/mol, XLogP of 4.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene is sourced from PubChem (CID 135070758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).