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

C12H17ClN2O — CID 9079287

IUPAC(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine
SMILESNC[C@H](c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2/t12-/m1/s1
InChIKeyOIWUWMGJYGAUJR-GFCCVEGCSA-N
MW240.73 g/mol
LogP1.67
Rot. Bonds3

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

(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine (PubChem CID 9079287) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine
PubChem CID9079287
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine
SMILESNC[C@H](c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2/t12-/m1/s1
InChIKeyOIWUWMGJYGAUJR-GFCCVEGCSA-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 (2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine (CID 9079287) is (2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine is NC[C@H](c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine?
The InChIKey is OIWUWMGJYGAUJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-3-1-10(2-4-11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2/t12-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine?
(2S)-2-(4-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 (2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 9079287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).