(4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine

C11H14ClFN2O — CID 118021159

IUPAC(4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine
SMILESNC(c1ccc(Cl)c(F)c1)C1CNCCO1
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
InChIKeyPESPNNUZIBKWNC-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.47
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine

(4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine (PubChem CID 118021159) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine
PubChem CID118021159
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name(4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine
SMILESNC(c1ccc(Cl)c(F)c1)C1CNCCO1
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
InChIKeyPESPNNUZIBKWNC-UHFFFAOYSA-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 (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine (CID 118021159) is (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine is NC(c1ccc(Cl)c(F)c1)C1CNCCO1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine?
The InChIKey is PESPNNUZIBKWNC-UHFFFAOYSA-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.
What are the key properties of (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine?
(4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine 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 (4-chloro-3-fluorophenyl)-morpholin-2-ylmethanamine is sourced from PubChem (CID 118021159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).