2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride

C17H21ClN2O2S — CID 120668000

IUPAC2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCOC(c3cccs3)C2)cc1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-12-4-6-13(7-5-12)16(18)17(20)19-8-9-21-14(11-19)15-3-2-10-22-15;/h2-7,10,14,16H,8-9,11,18H2,1H3;1H
InChIKeyFVUVFCNABIMLSM-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.08
Rot. Bonds3

About 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride

2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride (PubChem CID 120668000) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
PubChem CID120668000
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCOC(c3cccs3)C2)cc1.Cl
InChIInChI=1S/C17H20N2O2S.ClH/c1-12-4-6-13(7-5-12)16(18)17(20)19-8-9-21-14(11-19)15-3-2-10-22-15;/h2-7,10,14,16H,8-9,11,18H2,1H3;1H
InChIKeyFVUVFCNABIMLSM-UHFFFAOYSA-N
XLogP3.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668203
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120667995
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668195
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668196
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668632
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668188
4-amino-3-methoxy-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one;hydrochloride
CID 120590709
2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 120666745
N-[[4-[2-amino-2-(4-methylphenyl)acetyl]morpholin-2-yl]methyl]acetamide
CID 120668553

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride (CID 120668000) is 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride is Cc1ccc(C(N)C(=O)N2CCOC(c3cccs3)C2)cc1.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride?
The InChIKey is FVUVFCNABIMLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S.ClH/c1-12-4-6-13(7-5-12)16(18)17(20)19-8-9-21-14(11-19)15-3-2-10-22-15;/h2-7,10,14,16H,8-9,11,18H2,1H3;1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride?
2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 120668000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).