[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone

C13H16BrClN2O2 — CID 107940173

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(Cl)cc(Br)c2)CCO1
InChIInChI=1S/C13H16BrClN2O2/c1-8(16)12-7-17(2-3-19-12)13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12H,2-3,7,16H2,1H3
InChIKeyPHEQRDJSUVPCKA-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.29
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone (PubChem CID 107940173) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
PubChem CID107940173
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(Cl)cc(Br)c2)CCO1
InChIInChI=1S/C13H16BrClN2O2/c1-8(16)12-7-17(2-3-19-12)13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12H,2-3,7,16H2,1H3
InChIKeyPHEQRDJSUVPCKA-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]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
(3-bromo-5-chlorophenyl)-[2-(bromomethyl)morpholin-4-yl]methanone
CID 114018658
2-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 81484800
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
CID 103807808
1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 103826408
[2-(1-aminoethyl)morpholin-4-yl]-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 115315134

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone (CID 107940173) is [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone is CC(N)C1CN(C(=O)c2cc(Cl)cc(Br)c2)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone?
The InChIKey is PHEQRDJSUVPCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-8(16)12-7-17(2-3-19-12)13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12H,2-3,7,16H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-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]-(3-bromo-5-chlorophenyl)methanone is sourced from PubChem (CID 107940173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).