1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

C16H22BrNO — CID 79912756

IUPAC1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCC(N)(c1ccc(Br)cc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H22BrNO/c1-15(18,12-3-5-14(17)6-4-12)13-7-10-19-16(11-13)8-2-9-16/h3-6,13H,2,7-11,18H2,1H3
InChIKeyFXZUBNOKVVSBQX-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.97
Rot. Bonds2

About 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (PubChem CID 79912756) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
PubChem CID79912756
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCC(N)(c1ccc(Br)cc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H22BrNO/c1-15(18,12-3-5-14(17)6-4-12)13-7-10-19-16(11-13)8-2-9-16/h3-6,13H,2,7-11,18H2,1H3
InChIKeyFXZUBNOKVVSBQX-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79913797
1-(4-bromo-2-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 82779843
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
CID 79907776
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79913330
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
1-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79912639
1-(2-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913900
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902533
1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (CID 79912756) is 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is CC(N)(c1ccc(Br)cc1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The InChIKey is FXZUBNOKVVSBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-15(18,12-3-5-14(17)6-4-12)13-7-10-19-16(11-13)8-2-9-16/h3-6,13H,2,7-11,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine has a molecular weight of 324.26 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is sourced from PubChem (CID 79912756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).