2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

C19H21BrN2O2 — CID 120667995

IUPAC2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCOC(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13-5-7-14(8-6-13)18(21)19(23)22-9-10-24-17(12-22)15-3-2-4-16(20)11-15/h2-8,11,17-18H,9-10,12,21H2,1H3
InChIKeyDKVAVJSMNXHOFA-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.36
Rot. Bonds3

About 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (PubChem CID 120667995) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
PubChem CID120667995
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CCOC(c3cccc(Br)c3)C2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-13-5-7-14(8-6-13)18(21)19(23)22-9-10-24-17(12-22)15-3-2-4-16(20)11-15/h2-8,11,17-18H,9-10,12,21H2,1H3
InChIKeyDKVAVJSMNXHOFA-UHFFFAOYSA-N
XLogP3.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668196
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668195
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668188
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 120668000
2-amino-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668203
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (CID 120667995) is 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(C(N)C(=O)N2CCOC(c3cccc(Br)c3)C2)cc1.
What is the InChIKey of 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is DKVAVJSMNXHOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-5-7-14(8-6-13)18(21)19(23)22-9-10-24-17(12-22)15-3-2-4-16(20)11-15/h2-8,11,17-18H,9-10,12,21H2,1H3.
What are the key properties of 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 389.29 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 120667995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).