[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone

C13H16BrFN2O2 — CID 81485236

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(F)ccc2Br)CCO1
InChIInChI=1S/C13H16BrFN2O2/c1-8(16)12-7-17(4-5-19-12)13(18)10-6-9(15)2-3-11(10)14/h2-3,6,8,12H,4-5,7,16H2,1H3
InChIKeyTYTHTUFMHOLVOV-UHFFFAOYSA-N
MW331.19 g/mol
LogP1.78
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone (PubChem CID 81485236) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
PubChem CID81485236
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(F)ccc2Br)CCO1
InChIInChI=1S/C13H16BrFN2O2/c1-8(16)12-7-17(4-5-19-12)13(18)10-6-9(15)2-3-11(10)14/h2-3,6,8,12H,4-5,7,16H2,1H3
InChIKeyTYTHTUFMHOLVOV-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81484079
[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 86780110
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289
[2-(1-aminoethyl)morpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 115737892
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
CID 103807808
[2-(1-aminoethyl)morpholin-4-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103807823
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
CID 98010838
[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone
CID 99598727

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone (CID 81485236) is [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone is CC(N)C1CN(C(=O)c2cc(F)ccc2Br)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone?
The InChIKey is TYTHTUFMHOLVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-8(16)12-7-17(4-5-19-12)13(18)10-6-9(15)2-3-11(10)14/h2-3,6,8,12H,4-5,7,16H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone has a molecular weight of 331.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone is sourced from PubChem (CID 81485236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).