2-(2-chlorophenyl)-2-morpholin-4-ylethanamine

C12H17ClN2O — CID 3847395

IUPAC2-(2-chlorophenyl)-2-morpholin-4-ylethanamine
SMILESNCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C12H17ClN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
InChIKeyOJHPTRVTZGOWAO-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.67
Rot. Bonds3

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

2-(2-chlorophenyl)-2-morpholin-4-ylethanamine (PubChem CID 3847395) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-morpholin-4-ylethanamine
PubChem CID3847395
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-(2-chlorophenyl)-2-morpholin-4-ylethanamine
SMILESNCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C12H17ClN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
InChIKeyOJHPTRVTZGOWAO-UHFFFAOYSA-N
XLogP1.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine (CID 3847395) is 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine is NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine?
The InChIKey is OJHPTRVTZGOWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2.
What are the key properties of 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine?
2-(2-chlorophenyl)-2-morpholin-4-ylethanamine has a molecular weight of 240.73 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 3847395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).