(6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine

C17H17FN2O — CID 10192989

IUPAC(6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine
SMILESN[C@H]1CCCN2c3cc(F)ccc3Oc3ccccc3[C@H]12
InChIInChI=1S/C17H17FN2O/c18-11-7-8-16-14(10-11)20-9-3-5-13(19)17(20)12-4-1-2-6-15(12)21-16/h1-2,4,6-8,10,13,17H,3,5,9,19H2/t13-,17+/m0/s1
InChIKeyBUCUZVPRMPLLCJ-SUMWQHHRSA-N
MW284.33 g/mol
LogP3.60
Rot. Bonds

About (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine

(6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine (PubChem CID 10192989) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine.

Molecular Properties

Compound Name(6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine
PubChem CID10192989
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine
SMILESN[C@H]1CCCN2c3cc(F)ccc3Oc3ccccc3[C@H]12
InChIInChI=1S/C17H17FN2O/c18-11-7-8-16-14(10-11)20-9-3-5-13(19)17(20)12-4-1-2-6-15(12)21-16/h1-2,4,6-8,10,13,17H,3,5,9,19H2/t13-,17+/m0/s1
InChIKeyBUCUZVPRMPLLCJ-SUMWQHHRSA-N
XLogP3.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine?
The IUPAC name of (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine (CID 10192989) is (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine.
What is the SMILES notation for (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine?
The canonical SMILES for (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine is N[C@H]1CCCN2c3cc(F)ccc3Oc3ccccc3[C@H]12.
What is the InChIKey of (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine?
The InChIKey is BUCUZVPRMPLLCJ-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-11-7-8-16-14(10-11)20-9-3-5-13(19)17(20)12-4-1-2-6-15(12)21-16/h1-2,4,6-8,10,13,17H,3,5,9,19H2/t13-,17+/m0/s1.
What are the key properties of (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine?
(6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine has a molecular weight of 284.33 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine is sourced from PubChem (CID 10192989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).