N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine

C15H22ClNO3 — CID 106692712

IUPACN-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)o1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H22ClNO3/c1-2-17-14(12-3-4-13(16)20-12)11-5-7-19-15(9-11)6-8-18-10-15/h3-4,11,14,17H,2,5-10H2,1H3
InChIKeyFGMXKAZURGBACX-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.17
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine

N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine (PubChem CID 106692712) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
PubChem CID106692712
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)o1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H22ClNO3/c1-2-17-14(12-3-4-13(16)20-12)11-5-7-19-15(9-11)6-8-18-10-15/h3-4,11,14,17H,2,5-10H2,1H3
InChIKeyFGMXKAZURGBACX-UHFFFAOYSA-N
XLogP3.17
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine with MolForge

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Related Compounds

[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620
N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016988
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiophen-2-yl)methyl]ethanamine
CID 79921515
N-[(3-chlorothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105012158
N-[(4,5-dimethylthiophen-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105017030
2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-2-methoxyethanamine
CID 116722472
N-[1,9-dioxaspiro[5.5]undecan-4-yl-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105167535
[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860109
1-(2,5-dibromophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017245
N-[(2-chlorofuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692703
N-[2,6-dioxaspiro[4.5]decan-9-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830408
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine (CID 106692712) is N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine is CCNC(c1ccc(Cl)o1)C1CCOC2(CCOC2)C1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine?
The InChIKey is FGMXKAZURGBACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-2-17-14(12-3-4-13(16)20-12)11-5-7-19-15(9-11)6-8-18-10-15/h3-4,11,14,17H,2,5-10H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine?
N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine has a molecular weight of 299.80 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]ethanamine is sourced from PubChem (CID 106692712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).