(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone

C12H15ClN2O2 — CID 16773432

IUPAC(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)ccc2Cl)CCO1
InChIInChI=1S/C12H15ClN2O2/c1-8-7-15(4-5-17-8)12(16)10-6-9(14)2-3-11(10)13/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyVYVHVCUGIPCOJA-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.78
Rot. Bonds1

About (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone

(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 16773432) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID16773432
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)ccc2Cl)CCO1
InChIInChI=1S/C12H15ClN2O2/c1-8-7-15(4-5-17-8)12(16)10-6-9(14)2-3-11(10)13/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyVYVHVCUGIPCOJA-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.78
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

(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(4-amino-2-chlorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119771955
(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648286
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987911
(4-amino-2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62986686
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
(4-amino-5-chloro-2-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone;hydrochloride
CID 119698736
4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 24575619
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
(E)-3-(2,5-dichlorophenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
CID 47135151

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone (CID 16773432) is (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(N)ccc2Cl)CCO1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is VYVHVCUGIPCOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-7-15(4-5-17-8)12(16)10-6-9(14)2-3-11(10)13/h2-3,6,8H,4-5,7,14H2,1H3.
What are the key properties of (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone?
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 16773432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).