(R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine

C11H14ClFN2O — CID 118021129

IUPAC(R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine
SMILESN[C@H](c1ccc(Cl)c(F)c1)[C@H]1CNCCO1
InChIInChI=1S/C11H14ClFN2O/c12-8-2-1-7(5-9(8)13)11(14)10-6-15-3-4-16-10/h1-2,5,10-11,15H,3-4,6,14H2/t10-,11-/m1/s1
InChIKeyPESPNNUZIBKWNC-GHMZBOCLSA-N
MW244.70 g/mol
LogP1.47
Rot. Bonds2

About (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine

(R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine (PubChem CID 118021129) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine.

Molecular Properties

Compound Name(R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine
PubChem CID118021129
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name(R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine
SMILESN[C@H](c1ccc(Cl)c(F)c1)[C@H]1CNCCO1
InChIInChI=1S/C11H14ClFN2O/c12-8-2-1-7(5-9(8)13)11(14)10-6-15-3-4-16-10/h1-2,5,10-11,15H,3-4,6,14H2/t10-,11-/m1/s1
InChIKeyPESPNNUZIBKWNC-GHMZBOCLSA-N
XLogP1.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine?
The IUPAC name of (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine (CID 118021129) is (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine.
What is the SMILES notation for (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine?
The canonical SMILES for (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine is N[C@H](c1ccc(Cl)c(F)c1)[C@H]1CNCCO1.
What is the InChIKey of (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine?
The InChIKey is PESPNNUZIBKWNC-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-8-2-1-7(5-9(8)13)11(14)10-6-15-3-4-16-10/h1-2,5,10-11,15H,3-4,6,14H2/t10-,11-/m1/s1.
What are the key properties of (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine?
(R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine has a molecular weight of 244.70 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine is sourced from PubChem (CID 118021129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).