2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine

C14H18BrNO — CID 63296972

IUPAC2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine
SMILESCC1NCC(C2CC2)OC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c1-9-14(11-4-6-12(15)7-5-11)17-13(8-16-9)10-2-3-10/h4-7,9-10,13-14,16H,2-3,8H2,1H3
InChIKeyUWQJBSSFCKUZJP-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.28
Rot. Bonds2

About 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine

2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine (PubChem CID 63296972) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine
PubChem CID63296972
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine
SMILESCC1NCC(C2CC2)OC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c1-9-14(11-4-6-12(15)7-5-11)17-13(8-16-9)10-2-3-10/h4-7,9-10,13-14,16H,2-3,8H2,1H3
InChIKeyUWQJBSSFCKUZJP-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine?
The IUPAC name of 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine (CID 63296972) is 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine.
What is the SMILES notation for 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine?
The canonical SMILES for 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine is CC1NCC(C2CC2)OC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine?
The InChIKey is UWQJBSSFCKUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9-14(11-4-6-12(15)7-5-11)17-13(8-16-9)10-2-3-10/h4-7,9-10,13-14,16H,2-3,8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine?
2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine has a molecular weight of 296.21 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine is sourced from PubChem (CID 63296972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).