N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

C15H20FNO2 — CID 79895167

IUPACN-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1c(F)cccc1NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H20FNO2/c1-11-13(16)3-2-4-14(11)17-12-5-7-19-15(9-12)6-8-18-10-15/h2-4,12,17H,5-10H2,1H3
InChIKeyYAXGSJYDUYUBJV-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.88
Rot. Bonds2

About N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79895167) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79895167
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1c(F)cccc1NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H20FNO2/c1-11-13(16)3-2-4-14(11)17-12-5-7-19-15(9-12)6-8-18-10-15/h2-4,12,17H,5-10H2,1H3
InChIKeyYAXGSJYDUYUBJV-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline
CID 80704928
N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904002
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898115
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963
N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377810
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81365301

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79895167) is N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is Cc1c(F)cccc1NC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is YAXGSJYDUYUBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-13(16)3-2-4-14(11)17-12-5-7-19-15(9-12)6-8-18-10-15/h2-4,12,17H,5-10H2,1H3.
What are the key properties of N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 265.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).