4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine

C14H19BrFNO — CID 170869770

IUPAC4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine
SMILESCc1ccc(F)c(CCCN2CCOCC2)c1Br
InChIInChI=1S/C14H19BrFNO/c1-11-4-5-13(16)12(14(11)15)3-2-6-17-7-9-18-10-8-17/h4-5H,2-3,6-10H2,1H3
InChIKeyDOINWXYRCZUKER-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.16
Rot. Bonds4

About 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine

4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine (PubChem CID 170869770) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine
PubChem CID170869770
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine
SMILESCc1ccc(F)c(CCCN2CCOCC2)c1Br
InChIInChI=1S/C14H19BrFNO/c1-11-4-5-13(16)12(14(11)15)3-2-6-17-7-9-18-10-8-17/h4-5H,2-3,6-10H2,1H3
InChIKeyDOINWXYRCZUKER-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869741
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052
4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
CID 170870098
4-[3-(2-fluoro-6-phenoxyphenyl)propyl]morpholine
CID 170869692
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol
CID 170869328
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
4-[3-(4,5-dimethylfuran-2-yl)propyl]morpholine
CID 170871309

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine (CID 170869770) is 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine is Cc1ccc(F)c(CCCN2CCOCC2)c1Br.
What is the InChIKey of 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine?
The InChIKey is DOINWXYRCZUKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-11-4-5-13(16)12(14(11)15)3-2-6-17-7-9-18-10-8-17/h4-5H,2-3,6-10H2,1H3.
What are the key properties of 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine?
4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine has a molecular weight of 316.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine is sourced from PubChem (CID 170869770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).