2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide

C12H16ClN3O — CID 91757020

IUPAC2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide
SMILES[H]/N=C(\N)C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H16ClN3O/c13-10-3-1-9(2-4-10)11(12(14)15)16-5-7-17-8-6-16/h1-4,11H,5-8H2,(H3,14,15)
InChIKeyXUFCEFKLEXKDDE-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.65
Rot. Bonds3

About 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide

2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide (PubChem CID 91757020) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide
PubChem CID91757020
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide
SMILES[H]/N=C(\N)C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H16ClN3O/c13-10-3-1-9(2-4-10)11(12(14)15)16-5-7-17-8-6-16/h1-4,11H,5-8H2,(H3,14,15)
InChIKeyXUFCEFKLEXKDDE-UHFFFAOYSA-N
XLogP1.65
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
(2S)-2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 7279324
2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
CID 82344904
2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
3-(4-chlorophenyl)-2-morpholin-4-ylbutan-1-amine
CID 82092700
2-morpholin-4-yl-2-pyridin-4-ylacetamide
CID 25219323
N'-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111087099
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 82345122
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide?
The IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide (CID 91757020) is 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide is [H]/N=C(\N)C(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide?
The InChIKey is XUFCEFKLEXKDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-3-1-9(2-4-10)11(12(14)15)16-5-7-17-8-6-16/h1-4,11H,5-8H2,(H3,14,15).
What are the key properties of 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide?
2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide has a molecular weight of 253.73 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide is sourced from PubChem (CID 91757020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).