N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C19H27FN2O — CID 166655001

IUPACN-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C1CC1)C1COC2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H27FN2O/c1-21(17-6-7-17)18-12-19(23-14-18)8-10-22(11-9-19)13-15-2-4-16(20)5-3-15/h2-5,17-18H,6-14H2,1H3
InChIKeyHNOXJGYNHKWKLK-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.04
Rot. Bonds4

About N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine

N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 166655001) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID166655001
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC NameN-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C1CC1)C1COC2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H27FN2O/c1-21(17-6-7-17)18-12-19(23-14-18)8-10-22(11-9-19)13-15-2-4-16(20)5-3-15/h2-5,17-18H,6-14H2,1H3
InChIKeyHNOXJGYNHKWKLK-UHFFFAOYSA-N
XLogP3.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 166655001) is N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(C1CC1)C1COC2(CCN(Cc3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is HNOXJGYNHKWKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-21(17-6-7-17)18-12-19(23-14-18)8-10-22(11-9-19)13-15-2-4-16(20)5-3-15/h2-5,17-18H,6-14H2,1H3.
What are the key properties of N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 318.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-[(4-fluorophenyl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 166655001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).