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

C13H16BrClN2O2 — CID 103807821

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2ccc(Cl)cc2Br)CCO1
InChIInChI=1S/C13H16BrClN2O2/c1-8(16)12-7-17(4-5-19-12)13(18)10-3-2-9(15)6-11(10)14/h2-3,6,8,12H,4-5,7,16H2,1H3
InChIKeyZNCVQNYDJCWEQW-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.29
Rot. Bonds2

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

[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone (PubChem CID 103807821) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
PubChem CID103807821
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2ccc(Cl)cc2Br)CCO1
InChIInChI=1S/C13H16BrClN2O2/c1-8(16)12-7-17(4-5-19-12)13(18)10-3-2-9(15)6-11(10)14/h2-3,6,8,12H,4-5,7,16H2,1H3
InChIKeyZNCVQNYDJCWEQW-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 81484092
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
CID 81485236
[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 86780110
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81484079
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289
[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
CID 103807808
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2,3-dichlorophenyl)methanone
CID 98010838
[2-(1-aminoethyl)morpholin-4-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103807823
[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671724
[(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-4-chlorophenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone (CID 103807821) is [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone is CC(N)C1CN(C(=O)c2ccc(Cl)cc2Br)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone?
The InChIKey is ZNCVQNYDJCWEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-8(16)12-7-17(4-5-19-12)13(18)10-3-2-9(15)6-11(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-4-chlorophenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone has a molecular weight of 347.64 g/mol, XLogP of 2.29, 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-4-chlorophenyl)methanone is sourced from PubChem (CID 103807821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).