(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H15ClN2O3 — CID 81205390

IUPAC(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1ccc(C(=O)N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c13-11-5-8(14)1-2-10(11)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7,14H2
InChIKeyPZVQJPIHFXFDIG-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.76
Rot. Bonds2

About (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81205390) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81205390
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNc1ccc(C(=O)N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c13-11-5-8(14)1-2-10(11)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7,14H2
InChIKeyPZVQJPIHFXFDIG-UHFFFAOYSA-N
XLogP0.76
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931481
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438
(4-amino-2-chlorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119771955
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90103957
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81205390) is (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is Nc1ccc(C(=O)N2CCOC(CO)C2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is PZVQJPIHFXFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-11-5-8(14)1-2-10(11)12(17)15-3-4-18-9(6-15)7-16/h1-2,5,9,16H,3-4,6-7,14H2.
What are the key properties of (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 270.72 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81205390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).