5-chloro-2-morpholin-4-ylaniline

C10H13ClN2O — CID 846189

IUPAC5-chloro-2-morpholin-4-ylaniline
SMILESNc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C10H13ClN2O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChIKeyUNDBLGNMBLCRNJ-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.76
Rot. Bonds1

About 5-chloro-2-morpholin-4-ylaniline

5-chloro-2-morpholin-4-ylaniline (PubChem CID 846189) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-chloro-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name5-chloro-2-morpholin-4-ylaniline
PubChem CID846189
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name5-chloro-2-morpholin-4-ylaniline
SMILESNc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C10H13ClN2O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChIKeyUNDBLGNMBLCRNJ-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.76
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

N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
4-(5-Chloro-2-nitrophenyl)morpholine
CID 2829611
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
3-Chloro-2-(morpholin-4-yl)aniline
CID 952393
3-Chloro-4-morpholinoaniline
CID 108661
4-(4-Chloro-2-nitrophenyl)morpholine
CID 522191
1-Piperazineethanol, 4-(3-chlorophenyl)-
CID 96703
Ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate
CID 104609
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 841905
5-Chloro-2-(4-methyl-1-piperazinyl)benzenamine
CID 2104082
2-Morpholinoaniline
CID 735756
Cambridge id 5628081
CID 234240

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-morpholin-4-ylaniline?
The IUPAC name of 5-chloro-2-morpholin-4-ylaniline (CID 846189) is 5-chloro-2-morpholin-4-ylaniline.
What is the SMILES notation for 5-chloro-2-morpholin-4-ylaniline?
The canonical SMILES for 5-chloro-2-morpholin-4-ylaniline is Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 5-chloro-2-morpholin-4-ylaniline?
The InChIKey is UNDBLGNMBLCRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2.
What are the key properties of 5-chloro-2-morpholin-4-ylaniline?
5-chloro-2-morpholin-4-ylaniline has a molecular weight of 212.68 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-morpholin-4-ylaniline is sourced from PubChem (CID 846189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).