2-chloro-4-morpholin-4-ylaniline

C10H13ClN2O — CID 18549575

IUPAC2-chloro-4-morpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C10H13ClN2O/c11-9-7-8(1-2-10(9)12)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChIKeyGEJFFFJUVXSVCT-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.76
Rot. Bonds1

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

2-chloro-4-morpholin-4-ylaniline (PubChem CID 18549575) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name2-chloro-4-morpholin-4-ylaniline
PubChem CID18549575
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-4-morpholin-4-ylaniline
SMILESNc1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C10H13ClN2O/c11-9-7-8(1-2-10(9)12)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
InChIKeyGEJFFFJUVXSVCT-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

TS-011
CID 9816527
Benzenamine, 4-(4-morpholinyl)-
CID 75655
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
3-Chloro-2-(morpholin-4-yl)aniline
CID 952393
3-Chloro-4-morpholinoaniline
CID 108661
3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604
1-Piperazineethanol, 4-(3-chlorophenyl)-
CID 96703
3-Chloro-4-(piperidin-1-yl)aniline
CID 736350
5-Chloro-2-(morpholin-4-yl)aniline
CID 846189
Morpholine, 4-(2-chloro-4-nitrophenyl)-
CID 108711
1-(3-Chlorophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 1592843
N-(3-chlorophenyl)morpholine-4-carbothioamide
CID 876893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-ylaniline?
The IUPAC name of 2-chloro-4-morpholin-4-ylaniline (CID 18549575) is 2-chloro-4-morpholin-4-ylaniline.
What is the SMILES notation for 2-chloro-4-morpholin-4-ylaniline?
The canonical SMILES for 2-chloro-4-morpholin-4-ylaniline is Nc1ccc(N2CCOCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-morpholin-4-ylaniline?
The InChIKey is GEJFFFJUVXSVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-7-8(1-2-10(9)12)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2.
What are the key properties of 2-chloro-4-morpholin-4-ylaniline?
2-chloro-4-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 2-chloro-4-morpholin-4-ylaniline is sourced from PubChem (CID 18549575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).