3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine

C13H19FN2O — CID 170879139

IUPAC3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine
SMILESNCCCc1cccc(F)c1N1CCOCC1
InChIInChI=1S/C13H19FN2O/c14-12-5-1-3-11(4-2-6-15)13(12)16-7-9-17-10-8-16/h1,3,5H,2,4,6-10,15H2
InChIKeyZLEDJVUECIELLN-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds4

About 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine

3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine (PubChem CID 170879139) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine
PubChem CID170879139
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine
SMILESNCCCc1cccc(F)c1N1CCOCC1
InChIInChI=1S/C13H19FN2O/c14-12-5-1-3-11(4-2-6-15)13(12)16-7-9-17-10-8-16/h1,3,5H,2,4,6-10,15H2
InChIKeyZLEDJVUECIELLN-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine?
The IUPAC name of 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine (CID 170879139) is 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine is NCCCc1cccc(F)c1N1CCOCC1.
What is the InChIKey of 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine?
The InChIKey is ZLEDJVUECIELLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-5-1-3-11(4-2-6-15)13(12)16-7-9-17-10-8-16/h1,3,5H,2,4,6-10,15H2.
What are the key properties of 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine?
3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine has a molecular weight of 238.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-morpholin-4-ylphenyl)propan-1-amine is sourced from PubChem (CID 170879139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).