1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C17H24BrNO — CID 79913527

IUPAC1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCC(N)(c1ccccc1Br)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24BrNO/c1-16(19,14-6-2-3-7-15(14)18)13-8-11-20-17(12-13)9-4-5-10-17/h2-3,6-7,13H,4-5,8-12,19H2,1H3
InChIKeyRNUQSEQPCZZHNQ-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.36
Rot. Bonds2

About 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79913527) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79913527
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCC(N)(c1ccccc1Br)C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H24BrNO/c1-16(19,14-6-2-3-7-15(14)18)13-8-11-20-17(12-13)9-4-5-10-17/h2-3,6-7,13H,4-5,8-12,19H2,1H3
InChIKeyRNUQSEQPCZZHNQ-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913900
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-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
1-(2-bromophenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79899154
1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79907792
1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79913797
1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902533
1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
CID 114833601
1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine
CID 114833718
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
9-(2-bromophenoxy)-6-oxaspiro[4.5]decane
CID 79905452

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 79913527) is 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is CC(N)(c1ccccc1Br)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is RNUQSEQPCZZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-16(19,14-6-2-3-7-15(14)18)13-8-11-20-17(12-13)9-4-5-10-17/h2-3,6-7,13H,4-5,8-12,19H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 338.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79913527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).