(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C13H17ClN2O3 — CID 102931481

IUPAC(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2ccc(N)cc2Cl)CC(CO)O1
InChIInChI=1S/C13H17ClN2O3/c1-8-5-16(6-10(7-17)19-8)13(18)11-3-2-9(15)4-12(11)14/h2-4,8,10,17H,5-7,15H2,1H3
InChIKeyVSORBDATUZKVRJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.14
Rot. Bonds2

About (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102931481) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102931481
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2ccc(N)cc2Cl)CC(CO)O1
InChIInChI=1S/C13H17ClN2O3/c1-8-5-16(6-10(7-17)19-8)13(18)11-3-2-9(15)4-12(11)14/h2-4,8,10,17H,5-7,15H2,1H3
InChIKeyVSORBDATUZKVRJ-UHFFFAOYSA-N
XLogP1.14
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.14
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

(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931441
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
(4-amino-2-chlorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119771955
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102933143
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-chloro-4-methylphenyl)methanone
CID 106864094
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 103296942
(5-amino-1-benzothiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931471
(3-amino-2,5-difluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 107121539
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934660
(2-chloro-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934491

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102931481) is (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2ccc(N)cc2Cl)CC(CO)O1.
What is the InChIKey of (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is VSORBDATUZKVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8-5-16(6-10(7-17)19-8)13(18)11-3-2-9(15)4-12(11)14/h2-4,8,10,17H,5-7,15H2,1H3.
What are the key properties of (4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 284.74 g/mol, XLogP of 1.14, 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)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102931481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).