[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol

C15H22BrNO — CID 113261895

IUPAC[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-11(13-7-3-4-8-14(13)16)17-15-9-5-2-6-12(15)10-18/h3-4,7-8,11-12,15,17-18H,2,5-6,9-10H2,1H3
InChIKeyZBBXPUXLMJLIFX-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.65
Rot. Bonds4

About [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol

[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol (PubChem CID 113261895) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
PubChem CID113261895
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1ccccc1Br
InChIInChI=1S/C15H22BrNO/c1-11(13-7-3-4-8-14(13)16)17-15-9-5-2-6-12(15)10-18/h3-4,7-8,11-12,15,17-18H,2,5-6,9-10H2,1H3
InChIKeyZBBXPUXLMJLIFX-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol (CID 113261895) is [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol is CC(NC1CCCCC1CO)c1ccccc1Br.
What is the InChIKey of [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol?
The InChIKey is ZBBXPUXLMJLIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(13-7-3-4-8-14(13)16)17-15-9-5-2-6-12(15)10-18/h3-4,7-8,11-12,15,17-18H,2,5-6,9-10H2,1H3.
What are the key properties of [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol?
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol has a molecular weight of 312.25 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 113261895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).