1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine

C18H26FNO — CID 114833718

IUPAC1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H26FNO/c1-17(20,12-14-4-6-16(19)7-5-14)15-8-11-21-18(13-15)9-2-3-10-18/h4-7,15H,2-3,8-13,20H2,1H3
InChIKeyMJSLDAYRXJOFIM-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.83
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine

1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine (PubChem CID 114833718) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine
PubChem CID114833718
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H26FNO/c1-17(20,12-14-4-6-16(19)7-5-14)15-8-11-21-18(13-15)9-2-3-10-18/h4-7,15H,2-3,8-13,20H2,1H3
InChIKeyMJSLDAYRXJOFIM-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
CID 114833601
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
CID 79907776
1-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79912639
1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902301
1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79900028
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
1-(2-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913900
2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912977
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine (CID 114833718) is 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine is CC(N)(Cc1ccc(F)cc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The InChIKey is MJSLDAYRXJOFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-17(20,12-14-4-6-16(19)7-5-14)15-8-11-21-18(13-15)9-2-3-10-18/h4-7,15H,2-3,8-13,20H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine has a molecular weight of 291.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine is sourced from PubChem (CID 114833718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).