1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

C17H24ClNOS — CID 79907792

IUPAC1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESCC(N)(c1ccccc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H24ClNOS/c1-16(19,14-4-2-3-5-15(14)18)13-6-9-20-17(12-13)7-10-21-11-8-17/h2-5,13H,6-12,19H2,1H3
InChIKeyIBXOGKQNAKGGOE-UHFFFAOYSA-N
MW325.90 g/mol
LogP4.21
Rot. Bonds2

About 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 79907792) has the molecular formula C17H24ClNOS and a molecular weight of 325.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID79907792
Molecular FormulaC17H24ClNOS
Molecular Weight325.90 g/mol
Exact Mass325.13
IUPAC Name1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESCC(N)(c1ccccc1Cl)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C17H24ClNOS/c1-16(19,14-4-2-3-5-15(14)18)13-6-9-20-17(12-13)7-10-21-11-8-17/h2-5,13H,6-12,19H2,1H3
InChIKeyIBXOGKQNAKGGOE-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913900
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
1-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79912639
1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 82779843
1-(2-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79901777
(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79920949
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81014334
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804
2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylpropan-2-ol
CID 79900359
(2,6-dichlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 115788319

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (CID 79907792) is 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is CC(N)(c1ccccc1Cl)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is IBXOGKQNAKGGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNOS/c1-16(19,14-4-2-3-5-15(14)18)13-6-9-20-17(12-13)7-10-21-11-8-17/h2-5,13H,6-12,19H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 325.90 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 79907792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).