1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C14H20ClNO2 — CID 106692578

IUPAC1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1ccoc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H20ClNO2/c1-16-12(11-4-7-17-13(11)15)10-3-8-18-14(9-10)5-2-6-14/h4,7,10,12,16H,2-3,5-6,8-9H2,1H3
InChIKeyATLVBELLJTUOCH-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.54
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 106692578) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID106692578
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1ccoc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H20ClNO2/c1-16-12(11-4-7-17-13(11)15)10-3-8-18-14(9-10)5-2-6-14/h4,7,10,12,16H,2-3,5-6,8-9H2,1H3
InChIKeyATLVBELLJTUOCH-UHFFFAOYSA-N
XLogP3.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-yl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106692730
N-[(2-chlorofuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692703
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79908703
1-(2,4-dichlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016815
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104790003
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010358
N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 104804989
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016652
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 103406702
1-(3-chloro-4-methylphenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010373
N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692724

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 106692578) is 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is CNC(c1ccoc1Cl)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is ATLVBELLJTUOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16-12(11-4-7-17-13(11)15)10-3-8-18-14(9-10)5-2-6-14/h4,7,10,12,16H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 269.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 106692578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).