2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride

C20H25ClN2O2 — CID 119769741

IUPAC2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-20(2)14-24-18(16-6-4-3-5-7-16)13-22(20)19(23)12-15-8-10-17(21)11-9-15;/h3-11,18H,12-14,21H2,1-2H3;1H
InChIKeyDYSNFGFVULRGGD-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride

2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride (PubChem CID 119769741) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
PubChem CID119769741
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-20(2)14-24-18(16-6-4-3-5-7-16)13-22(20)19(23)12-15-8-10-17(21)11-9-15;/h3-11,18H,12-14,21H2,1-2H3;1H
InChIKeyDYSNFGFVULRGGD-UHFFFAOYSA-N
XLogP3.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110327324
3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one
CID 120610322
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one
CID 119769752
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-5,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 95173306
2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740456
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride (CID 119769741) is 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride is CC1(C)COC(c2ccccc2)CN1C(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride?
The InChIKey is DYSNFGFVULRGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-20(2)14-24-18(16-6-4-3-5-7-16)13-22(20)19(23)12-15-8-10-17(21)11-9-15;/h3-11,18H,12-14,21H2,1-2H3;1H.
What are the key properties of 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride?
2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 119769741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).