2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C18H26ClNO — CID 79908675

IUPAC2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCNC(Cc1ccccc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H26ClNO/c1-20-17(12-14-6-2-3-7-16(14)19)15-8-11-21-18(13-15)9-4-5-10-18/h2-3,6-7,15,17,20H,4-5,8-13H2,1H3
InChIKeySQKUBOXKCMPBDW-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.21
Rot. Bonds4

About 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79908675) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79908675
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCNC(Cc1ccccc1Cl)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H26ClNO/c1-20-17(12-14-6-2-3-7-16(14)19)15-8-11-21-18(13-15)9-4-5-10-18/h2-3,6-7,15,17,20H,4-5,8-13H2,1H3
InChIKeySQKUBOXKCMPBDW-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79914933
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79908703
[2-(2-chlorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105209506
[2-(2,6-dichlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105209863
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908679
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
2-(2-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79914830
N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-3-pyridin-2-ylpropan-1-amine
CID 105166307
2-(2-chlorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179450
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 79908675) is 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is CNC(Cc1ccccc1Cl)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is SQKUBOXKCMPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-20-17(12-14-6-2-3-7-16(14)19)15-8-11-21-18(13-15)9-4-5-10-18/h2-3,6-7,15,17,20H,4-5,8-13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 307.86 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79908675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).