3-chloro-2-morpholin-4-ylaniline

C10H13ClN2O — CID 952393

IUPAC3-chloro-2-morpholin-4-ylaniline
SMILESNc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C10H13ClN2O/c11-8-2-1-3-9(12)10(8)13-4-6-14-7-5-13/h1-3H,4-7,12H2
InChIKeyLEQGHOHIHNAMCC-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.76
Rot. Bonds1

About 3-chloro-2-morpholin-4-ylaniline

3-chloro-2-morpholin-4-ylaniline (PubChem CID 952393) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-chloro-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-chloro-2-morpholin-4-ylaniline
PubChem CID952393
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-chloro-2-morpholin-4-ylaniline
SMILESNc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C10H13ClN2O/c11-8-2-1-3-9(12)10(8)13-4-6-14-7-5-13/h1-3H,4-7,12H2
InChIKeyLEQGHOHIHNAMCC-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-morpholin-4-ylaniline?
The IUPAC name of 3-chloro-2-morpholin-4-ylaniline (CID 952393) is 3-chloro-2-morpholin-4-ylaniline.
What is the SMILES notation for 3-chloro-2-morpholin-4-ylaniline?
The canonical SMILES for 3-chloro-2-morpholin-4-ylaniline is Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of 3-chloro-2-morpholin-4-ylaniline?
The InChIKey is LEQGHOHIHNAMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-8-2-1-3-9(12)10(8)13-4-6-14-7-5-13/h1-3H,4-7,12H2.
What are the key properties of 3-chloro-2-morpholin-4-ylaniline?
3-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 3-chloro-2-morpholin-4-ylaniline is sourced from PubChem (CID 952393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).