(1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

C14H19FN2O — CID 67845868

IUPAC(1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESNC1C[C@H]2COC[C@@H](C1)N2Cc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c15-11-3-1-2-10(4-11)7-17-13-5-12(16)6-14(17)9-18-8-13/h1-4,12-14H,5-9,16H2/t12?,13-,14+
InChIKeyONGFICPRQYGLNM-AGUYFDCRSA-N
MW250.32 g/mol
LogP1.52
Rot. Bonds2

About (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

(1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (PubChem CID 67845868) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.

Molecular Properties

Compound Name(1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
PubChem CID67845868
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESNC1C[C@H]2COC[C@@H](C1)N2Cc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c15-11-3-1-2-10(4-11)7-17-13-5-12(16)6-14(17)9-18-8-13/h1-4,12-14H,5-9,16H2/t12?,13-,14+
InChIKeyONGFICPRQYGLNM-AGUYFDCRSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The IUPAC name of (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (CID 67845868) is (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.
What is the SMILES notation for (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The canonical SMILES for (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is NC1C[C@H]2COC[C@@H](C1)N2Cc1cccc(F)c1.
What is the InChIKey of (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The InChIKey is ONGFICPRQYGLNM-AGUYFDCRSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-11-3-1-2-10(4-11)7-17-13-5-12(16)6-14(17)9-18-8-13/h1-4,12-14H,5-9,16H2/t12?,13-,14+.
What are the key properties of (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
(1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine has a molecular weight of 250.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is sourced from PubChem (CID 67845868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).