N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine

C18H26FNO — CID 66357502

IUPACN-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(Oc2ccccc2F)C12CCCCCC2
InChIInChI=1S/C18H26FNO/c1-2-20-16-13-17(18(16)11-7-3-4-8-12-18)21-15-10-6-5-9-14(15)19/h5-6,9-10,16-17,20H,2-4,7-8,11-13H2,1H3
InChIKeyPYOIFEWZTHDOBH-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.30
Rot. Bonds4

About N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine

N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine (PubChem CID 66357502) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
PubChem CID66357502
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC NameN-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(Oc2ccccc2F)C12CCCCCC2
InChIInChI=1S/C18H26FNO/c1-2-20-16-13-17(18(16)11-7-3-4-8-12-18)21-15-10-6-5-9-14(15)19/h5-6,9-10,16-17,20H,2-4,7-8,11-13H2,1H3
InChIKeyPYOIFEWZTHDOBH-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine?
The IUPAC name of N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine (CID 66357502) is N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine is CCNC1CC(Oc2ccccc2F)C12CCCCCC2.
What is the InChIKey of N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine?
The InChIKey is PYOIFEWZTHDOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-2-20-16-13-17(18(16)11-7-3-4-8-12-18)21-15-10-6-5-9-14(15)19/h5-6,9-10,16-17,20H,2-4,7-8,11-13H2,1H3.
What are the key properties of N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine?
N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine has a molecular weight of 291.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66357502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).