1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine

C15H21BrF2N2O — CID 106267860

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1c(F)ccc(Br)c1F)N1CCOCC1
InChIInChI=1S/C15H21BrF2N2O/c1-15(2,20-5-7-21-8-6-20)13(19)9-10-12(17)4-3-11(16)14(10)18/h3-4,13H,5-9,19H2,1-2H3
InChIKeyLZQFNNFQDZWGAC-UHFFFAOYSA-N
MW363.25 g/mol
LogP2.71
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine

1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (PubChem CID 106267860) has the molecular formula C15H21BrF2N2O and a molecular weight of 363.25 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
PubChem CID106267860
Molecular FormulaC15H21BrF2N2O
Molecular Weight363.25 g/mol
Exact Mass362.08
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1c(F)ccc(Br)c1F)N1CCOCC1
InChIInChI=1S/C15H21BrF2N2O/c1-15(2,20-5-7-21-8-6-20)13(19)9-10-12(17)4-3-11(16)14(10)18/h3-4,13H,5-9,19H2,1-2H3
InChIKeyLZQFNNFQDZWGAC-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 106271041
1-(3-bromo-2,6-difluorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 106942723
1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 114166303
1-(3-fluoro-4-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79051899
1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 104794095
2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 106268649
1-(3,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051908
1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057613
2-(3-bromo-2,6-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 114167013
1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052076
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 106267698
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 106762078

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (CID 106267860) is 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is CC(C)(C(N)Cc1c(F)ccc(Br)c1F)N1CCOCC1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The InChIKey is LZQFNNFQDZWGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF2N2O/c1-15(2,20-5-7-21-8-6-20)13(19)9-10-12(17)4-3-11(16)14(10)18/h3-4,13H,5-9,19H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine has a molecular weight of 363.25 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 106267860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).