1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol

C17H25BrClNO — CID 82775957

IUPAC1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol
SMILESCC(O)(c1ccc(Br)cc1Cl)C1(CN)CCCCCCC1
InChIInChI=1S/C17H25BrClNO/c1-16(21,14-8-7-13(18)11-15(14)19)17(12-20)9-5-3-2-4-6-10-17/h7-8,11,21H,2-6,9-10,12,20H2,1H3
InChIKeyQDINUHIXSYDEKW-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.00
Rot. Bonds3

About 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol

1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol (PubChem CID 82775957) has the molecular formula C17H25BrClNO and a molecular weight of 374.75 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol
PubChem CID82775957
Molecular FormulaC17H25BrClNO
Molecular Weight374.75 g/mol
Exact Mass373.08
IUPAC Name1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol
SMILESCC(O)(c1ccc(Br)cc1Cl)C1(CN)CCCCCCC1
InChIInChI=1S/C17H25BrClNO/c1-16(21,14-8-7-13(18)11-15(14)19)17(12-20)9-5-3-2-4-6-10-17/h7-8,11,21H,2-6,9-10,12,20H2,1H3
InChIKeyQDINUHIXSYDEKW-UHFFFAOYSA-N
XLogP5.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-(4-bromo-2-chlorophenyl)ethanol
CID 82775704
1-[1-(aminomethyl)cyclooctyl]-1-(2,5-dimethylphenyl)ethanol
CID 80610563
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol
CID 82778951
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
CID 114191784
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 79125689
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
3-(aminomethyl)-2-(4-bromo-2-chlorophenyl)hexan-2-ol
CID 82781129
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol
CID 79128874

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol (CID 82775957) is 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol is CC(O)(c1ccc(Br)cc1Cl)C1(CN)CCCCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol?
The InChIKey is QDINUHIXSYDEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrClNO/c1-16(21,14-8-7-13(18)11-15(14)19)17(12-20)9-5-3-2-4-6-10-17/h7-8,11,21H,2-6,9-10,12,20H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol?
1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol has a molecular weight of 374.75 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol is sourced from PubChem (CID 82775957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).