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

C18H26FNO — CID 66357329

IUPACN-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(Oc2cccc(F)c2)C12CCCCCC2
InChIInChI=1S/C18H26FNO/c1-2-20-16-13-17(18(16)10-5-3-4-6-11-18)21-15-9-7-8-14(19)12-15/h7-9,12,16-17,20H,2-6,10-11,13H2,1H3
InChIKeyHMWMYFSUKNQQDE-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.30
Rot. Bonds4

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

N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine (PubChem CID 66357329) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
PubChem CID66357329
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC NameN-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(Oc2cccc(F)c2)C12CCCCCC2
InChIInChI=1S/C18H26FNO/c1-2-20-16-13-17(18(16)10-5-3-4-6-11-18)21-15-9-7-8-14(19)12-15/h7-9,12,16-17,20H,2-6,10-11,13H2,1H3
InChIKeyHMWMYFSUKNQQDE-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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Related Compounds

3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66359016
3-(3-bromo-5-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 81325638
3-(2,4-difluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66357541
3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
CID 107662355
3-(3-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 83238202
N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357502
3-(2-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66359577
3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane
CID 66345275
N-ethyl-3-(4-methylphenoxy)spiro[3.4]octan-1-amine
CID 66359379
3-(4-chloro-3-ethylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66356846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine?
The IUPAC name of N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine (CID 66357329) is N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine is CCNC1CC(Oc2cccc(F)c2)C12CCCCCC2.
What is the InChIKey of N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine?
The InChIKey is HMWMYFSUKNQQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-2-20-16-13-17(18(16)10-5-3-4-6-11-18)21-15-9-7-8-14(19)12-15/h7-9,12,16-17,20H,2-6,10-11,13H2,1H3.
What are the key properties of N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine?
N-ethyl-3-(3-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-(3-fluorophenoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66357329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).