4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine

C18H26BrNO3 — CID 16738236

IUPAC4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine
SMILESBrc1ccc(OCCO[C@H]2CCCC[C@@H]2N2CCOCC2)cc1
InChIInChI=1S/C18H26BrNO3/c19-15-5-7-16(8-6-15)22-13-14-23-18-4-2-1-3-17(18)20-9-11-21-12-10-20/h5-8,17-18H,1-4,9-14H2/t17-,18-/m0/s1
InChIKeyZRKQIHYNSZCMGE-ROUUACIJSA-N
MW384.31 g/mol
LogP3.49
Rot. Bonds6

About 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine

4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine (PubChem CID 16738236) has the molecular formula C18H26BrNO3 and a molecular weight of 384.31 g/mol. Its IUPAC name is 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine
PubChem CID16738236
Molecular FormulaC18H26BrNO3
Molecular Weight384.31 g/mol
Exact Mass383.11
IUPAC Name4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine
SMILESBrc1ccc(OCCO[C@H]2CCCC[C@@H]2N2CCOCC2)cc1
InChIInChI=1S/C18H26BrNO3/c19-15-5-7-16(8-6-15)22-13-14-23-18-4-2-1-3-17(18)20-9-11-21-12-10-20/h5-8,17-18H,1-4,9-14H2/t17-,18-/m0/s1
InChIKeyZRKQIHYNSZCMGE-ROUUACIJSA-N
XLogP3.49
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine?
The IUPAC name of 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine (CID 16738236) is 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine.
What is the SMILES notation for 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine?
The canonical SMILES for 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine is Brc1ccc(OCCO[C@H]2CCCC[C@@H]2N2CCOCC2)cc1.
What is the InChIKey of 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine?
The InChIKey is ZRKQIHYNSZCMGE-ROUUACIJSA-N. The full InChI is InChI=1S/C18H26BrNO3/c19-15-5-7-16(8-6-15)22-13-14-23-18-4-2-1-3-17(18)20-9-11-21-12-10-20/h5-8,17-18H,1-4,9-14H2/t17-,18-/m0/s1.
What are the key properties of 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine?
4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine has a molecular weight of 384.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine is sourced from PubChem (CID 16738236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).