(1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine

C32H38FNO — CID 126502010

About (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine

(1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine (PubChem CID 126502010) has the molecular formula C32H38FNO and a molecular weight of 471.66 g/mol. Its IUPAC name is (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine.

Molecular Properties

• Compound Name: (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine
• PubChem CID: 126502010
• Molecular Formula: C32H38FNO
• Molecular Weight: 471.66 g/mol
• Exact Mass: 471.29
• IUPAC Name: (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine
• SMILES: CN(CCF)[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H](c5ccc6ccccc6c5)CC[C@H]4[C@@]34CC[C@]2(C1)O4
• InChI: InChI=1S/C32H38FNO/c1-30-14-13-26-20-25-9-10-27(34(2)18-17-33)21-31(25)15-16-32(26,35-31)29(30)12-11-28(30)24-8-7-22-5-3-4-6-23(22)19-24/h3-8,13,19-20,27-29H,9-12,14-18,21H2,1-2H3/t27-,28+,29+,30+,31+,32+/m0/s1
• InChIKey: DEDYMPRYASRBSY-YWTMIQCDSA-N
• XLogP: 7.35
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.66
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine?

The IUPAC name of (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine (CID 126502010) is (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine.

What is the SMILES notation for (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine?

The canonical SMILES for (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine is CN(CCF)[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H](c5ccc6ccccc6c5)CC[C@H]4[C@@]34CC[C@]2(C1)O4.

What is the InChIKey of (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine?

The InChIKey is DEDYMPRYASRBSY-YWTMIQCDSA-N. The full InChI is InChI=1S/C32H38FNO/c1-30-14-13-26-20-25-9-10-27(34(2)18-17-33)21-31(25)15-16-32(26,35-31)29(30)12-11-28(30)24-8-7-22-5-3-4-6-23(22)19-24/h3-8,13,19-20,27-29H,9-12,14-18,21H2,1-2H3/t27-,28+,29+,30+,31+,32+/m0/s1.

What are the key properties of (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine?

(1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine has a molecular weight of 471.66 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R,5S,6R,14S,16R)-N-(2-fluoroethyl)-N,6-dimethyl-5-naphthalen-2-yl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-dien-14-amine is sourced from PubChem (CID 126502010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).