[4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine

C12H17FN2O — CID 151249863

IUPAC[4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(C(F)c2ccccc2)CCO1
InChIInChI=1S/C12H17FN2O/c13-12(10-4-2-1-3-5-10)15-6-7-16-11(8-14)9-15/h1-5,11-12H,6-9,14H2
InChIKeyNSCAQSBZVBUDCF-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.31
Rot. Bonds3

About [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine

[4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 151249863) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine
PubChem CID151249863
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(C(F)c2ccccc2)CCO1
InChIInChI=1S/C12H17FN2O/c13-12(10-4-2-1-3-5-10)15-6-7-16-11(8-14)9-15/h1-5,11-12H,6-9,14H2
InChIKeyNSCAQSBZVBUDCF-UHFFFAOYSA-N
XLogP1.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine (CID 151249863) is [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine is NCC1CN(C(F)c2ccccc2)CCO1.
What is the InChIKey of [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is NSCAQSBZVBUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-12(10-4-2-1-3-5-10)15-6-7-16-11(8-14)9-15/h1-5,11-12H,6-9,14H2.
What are the key properties of [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine?
[4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[fluoro(phenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 151249863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).