1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H20FN3O — CID 106874984

IUPAC1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOC1CCCC2(CN=C(N)N2c2cccc(F)c2)C1
InChIInChI=1S/C15H20FN3O/c1-20-13-6-3-7-15(9-13)10-18-14(17)19(15)12-5-2-4-11(16)8-12/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyFJKMVRUAPNYWTR-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.29
Rot. Bonds2

About 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 106874984) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID106874984
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOC1CCCC2(CN=C(N)N2c2cccc(F)c2)C1
InChIInChI=1S/C15H20FN3O/c1-20-13-6-3-7-15(9-13)10-18-14(17)19(15)12-5-2-4-11(16)8-12/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyFJKMVRUAPNYWTR-UHFFFAOYSA-N
XLogP2.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Ethyl-1-(4-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499536
1-(4-Fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499650
1-(4-Fluorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79500224
1-(2-Fluorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501455
7-Ethyl-1-(3-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501897
1-(3-Fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502347
1-(2-Fluorophenyl)-7-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502540
7-Ethyl-1-(2-fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502798
1-(3-Fluorophenyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79503075
1-(4-Fluorophenyl)-9-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504690
1-(4-Fluorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504767
1-(4-fluorophenyl)-5-(2-methoxy-2-methylpropyl)-5-methyl-4H-imidazol-2-amine
CID 79504911

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 106874984) is 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine is COC1CCCC2(CN=C(N)N2c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is FJKMVRUAPNYWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-20-13-6-3-7-15(9-13)10-18-14(17)19(15)12-5-2-4-11(16)8-12/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,17,18).
What are the key properties of 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 106874984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).