5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide

C13H18ClN3O2 — CID 81202711

IUPAC5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CC(CO)OCC1C
InChIInChI=1S/C13H18ClN3O2/c1-8-7-19-10(6-18)5-17(8)12-3-2-9(14)4-11(12)13(15)16/h2-4,8,10,18H,5-7H2,1H3,(H3,15,16)
InChIKeyQQIFHENKCLQUFJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.21
Rot. Bonds3

About 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide

5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide (PubChem CID 81202711) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
PubChem CID81202711
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CC(CO)OCC1C
InChIInChI=1S/C13H18ClN3O2/c1-8-7-19-10(6-18)5-17(8)12-3-2-9(14)4-11(12)13(15)16/h2-4,8,10,18H,5-7H2,1H3,(H3,15,16)
InChIKeyQQIFHENKCLQUFJ-UHFFFAOYSA-N
XLogP1.21
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide
CID 107930580
[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
CID 113315842
2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide
CID 107930337
5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777109
4-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzonitrile
CID 81202955
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 81203604
2-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43544651
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
5-bromo-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 114891967
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
5-chloro-2-(3-ethylmorpholin-4-yl)benzenecarboximidamide
CID 62493254
3-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzaldehyde
CID 81205219

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide (CID 81202711) is 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N1CC(CO)OCC1C.
What is the InChIKey of 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide?
The InChIKey is QQIFHENKCLQUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8-7-19-10(6-18)5-17(8)12-3-2-9(14)4-11(12)13(15)16/h2-4,8,10,18H,5-7H2,1H3,(H3,15,16).
What are the key properties of 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide?
5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide has a molecular weight of 283.76 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 81202711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).