1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

C16H21BrClNO — CID 82779843

IUPAC1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCC(N)(c1ccc(Br)cc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H21BrClNO/c1-15(19,13-4-3-12(17)9-14(13)18)11-5-8-20-16(10-11)6-2-7-16/h3-4,9,11H,2,5-8,10,19H2,1H3
InChIKeyFEEQZXWZBQPKTK-UHFFFAOYSA-N
MW358.71 g/mol
LogP4.63
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (PubChem CID 82779843) has the molecular formula C16H21BrClNO and a molecular weight of 358.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
PubChem CID82779843
Molecular FormulaC16H21BrClNO
Molecular Weight358.71 g/mol
Exact Mass357.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCC(N)(c1ccc(Br)cc1Cl)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H21BrClNO/c1-15(19,13-4-3-12(17)9-14(13)18)11-5-8-20-16(10-11)6-2-7-16/h3-4,9,11H,2,5-8,10,19H2,1H3
InChIKeyFEEQZXWZBQPKTK-UHFFFAOYSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.71
LogP ≤ 54.63
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-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
1-(2-chlorophenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79907792
1-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79912639
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-(2,4-dichloro-5-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79902299
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010358
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016652

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (CID 82779843) is 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is CC(N)(c1ccc(Br)cc1Cl)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The InChIKey is FEEQZXWZBQPKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO/c1-15(19,13-4-3-12(17)9-14(13)18)11-5-8-20-16(10-11)6-2-7-16/h3-4,9,11H,2,5-8,10,19H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine has a molecular weight of 358.71 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is sourced from PubChem (CID 82779843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).