(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C15H20Cl2N2O2 — CID 102743680

IUPAC(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC(C)(C)O1
InChIInChI=1S/C15H20Cl2N2O2/c1-14(2)7-19(8-15(3,4)21-14)13(20)9-5-10(16)12(18)11(17)6-9/h5-6H,7-8,18H2,1-4H3
InChIKeyVUXGAHQTXWSFAU-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.61
Rot. Bonds1

About (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102743680) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102743680
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC(C)(C)O1
InChIInChI=1S/C15H20Cl2N2O2/c1-14(2)7-19(8-15(3,4)21-14)13(20)9-5-10(16)12(18)11(17)6-9/h5-6H,7-8,18H2,1-4H3
InChIKeyVUXGAHQTXWSFAU-UHFFFAOYSA-N
XLogP3.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102737678
(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102737645
(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 82833580
(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 82832883
(4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 107036706
(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102744843
(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742669
(4-amino-2-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745598
1-(4-amino-3,5-dichlorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 82832872
1-methyl-4-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyridin-2-one
CID 102737698
(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 82833278

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102743680) is (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC(C)(C)O1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is VUXGAHQTXWSFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-14(2)7-19(8-15(3,4)21-14)13(20)9-5-10(16)12(18)11(17)6-9/h5-6H,7-8,18H2,1-4H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 331.24 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102743680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).