N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

C15H20FNO2 — CID 79903956

IUPACN-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1cc(NC2CCOC3(CCOC3)C2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-11-8-12(2-3-14(11)16)17-13-4-6-19-15(9-13)5-7-18-10-15/h2-3,8,13,17H,4-7,9-10H2,1H3
InChIKeyNXPDTTSHZNPCPU-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.88
Rot. Bonds2

About N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79903956) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79903956
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1cc(NC2CCOC3(CCOC3)C2)ccc1F
InChIInChI=1S/C15H20FNO2/c1-11-8-12(2-3-14(11)16)17-13-4-6-19-15(9-13)5-7-18-10-15/h2-3,8,13,17H,4-7,9-10H2,1H3
InChIKeyNXPDTTSHZNPCPU-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

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79902131
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
CID 138684089
N-(3,5-dimethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79901878
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
CID 80705669
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79897939
N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894794
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79903956) is N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is Cc1cc(NC2CCOC3(CCOC3)C2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is NXPDTTSHZNPCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-8-12(2-3-14(11)16)17-13-4-6-19-15(9-13)5-7-18-10-15/h2-3,8,13,17H,4-7,9-10H2,1H3.
What are the key properties of N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).