2-fluoro-3-(morpholin-4-ylmethyl)aniline

C11H15FN2O — CID 66632603

IUPAC2-fluoro-3-(morpholin-4-ylmethyl)aniline
SMILESNc1cccc(CN2CCOCC2)c1F
InChIInChI=1S/C11H15FN2O/c12-11-9(2-1-3-10(11)13)8-14-4-6-15-7-5-14/h1-3H,4-8,13H2
InChIKeyGQGUWKSETCXMQM-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.24
Rot. Bonds2

About 2-fluoro-3-(morpholin-4-ylmethyl)aniline

2-fluoro-3-(morpholin-4-ylmethyl)aniline (PubChem CID 66632603) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-fluoro-3-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-3-(morpholin-4-ylmethyl)aniline
PubChem CID66632603
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-fluoro-3-(morpholin-4-ylmethyl)aniline
SMILESNc1cccc(CN2CCOCC2)c1F
InChIInChI=1S/C11H15FN2O/c12-11-9(2-1-3-10(11)13)8-14-4-6-15-7-5-14/h1-3H,4-8,13H2
InChIKeyGQGUWKSETCXMQM-UHFFFAOYSA-N
XLogP1.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 2-fluoro-3-(morpholin-4-ylmethyl)aniline (CID 66632603) is 2-fluoro-3-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-3-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-3-(morpholin-4-ylmethyl)aniline is Nc1cccc(CN2CCOCC2)c1F.
What is the InChIKey of 2-fluoro-3-(morpholin-4-ylmethyl)aniline?
The InChIKey is GQGUWKSETCXMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-11-9(2-1-3-10(11)13)8-14-4-6-15-7-5-14/h1-3H,4-8,13H2.
What are the key properties of 2-fluoro-3-(morpholin-4-ylmethyl)aniline?
2-fluoro-3-(morpholin-4-ylmethyl)aniline has a molecular weight of 210.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 66632603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).