(2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine

C19H22FNO — CID 70851415

IUPAC(2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine
SMILESCN[C@@H]1CO[C@H]2C3C=C(F)C=CC3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C19H22FNO/c1-21-15-10-18-16-5-3-2-4-12(16)8-13-6-7-14(20)9-17(13)19(18)22-11-15/h2-7,9,13,15,17-19,21H,8,10-11H2,1H3/t13?,15-,17?,18+,19-/m0/s1
InChIKeyRYTPUAROTOMEHL-UJRJMRKDSA-N
MW299.39 g/mol
LogP3.36
Rot. Bonds1

About (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine

(2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine (PubChem CID 70851415) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine.

Molecular Properties

Compound Name(2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine
PubChem CID70851415
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name(2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine
SMILESCN[C@@H]1CO[C@H]2C3C=C(F)C=CC3Cc3ccccc3[C@H]2C1
InChIInChI=1S/C19H22FNO/c1-21-15-10-18-16-5-3-2-4-12(16)8-13-6-7-14(20)9-17(13)19(18)22-11-15/h2-7,9,13,15,17-19,21H,8,10-11H2,1H3/t13?,15-,17?,18+,19-/m0/s1
InChIKeyRYTPUAROTOMEHL-UJRJMRKDSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine?
The IUPAC name of (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine (CID 70851415) is (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine.
What is the SMILES notation for (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine?
The canonical SMILES for (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine is CN[C@@H]1CO[C@H]2C3C=C(F)C=CC3Cc3ccccc3[C@H]2C1.
What is the InChIKey of (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine?
The InChIKey is RYTPUAROTOMEHL-UJRJMRKDSA-N. The full InChI is InChI=1S/C19H22FNO/c1-21-15-10-18-16-5-3-2-4-12(16)8-13-6-7-14(20)9-17(13)19(18)22-11-15/h2-7,9,13,15,17-19,21H,8,10-11H2,1H3/t13?,15-,17?,18+,19-/m0/s1.
What are the key properties of (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine?
(2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine has a molecular weight of 299.39 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,7R)-18-fluoro-N-methyl-3-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-8,10,12,16,18-pentaen-5-amine is sourced from PubChem (CID 70851415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).