1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine

C14H21FN2O — CID 114065968

IUPAC1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1c(F)cccc1N1CCOCC1C
InChIInChI=1S/C14H21FN2O/c1-10(16)8-12-13(15)4-3-5-14(12)17-6-7-18-9-11(17)2/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyCABCWKYAEPCPBV-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.94
Rot. Bonds3

About 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine

1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine (PubChem CID 114065968) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
PubChem CID114065968
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1c(F)cccc1N1CCOCC1C
InChIInChI=1S/C14H21FN2O/c1-10(16)8-12-13(15)4-3-5-14(12)17-6-7-18-9-11(17)2/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyCABCWKYAEPCPBV-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine (CID 114065968) is 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine is CC(N)Cc1c(F)cccc1N1CCOCC1C.
What is the InChIKey of 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine?
The InChIKey is CABCWKYAEPCPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16)8-12-13(15)4-3-5-14(12)17-6-7-18-9-11(17)2/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine?
1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine has a molecular weight of 252.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114065968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).