(2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine

C15H22FN3O — CID 70557748

IUPAC(2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine
SMILESCC1(c2cc(NC3CCC3)ccc2F)CNC[C@H](N)O1
InChIInChI=1S/C15H22FN3O/c1-15(9-18-8-14(17)20-15)12-7-11(5-6-13(12)16)19-10-3-2-4-10/h5-7,10,14,18-19H,2-4,8-9,17H2,1H3/t14-,15?/m1/s1
InChIKeyXUXUMECXMDMGES-GICMACPYSA-N
MW279.36 g/mol
LogP1.91
Rot. Bonds3

About (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine

(2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine (PubChem CID 70557748) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine.

Molecular Properties

Compound Name(2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine
PubChem CID70557748
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name(2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine
SMILESCC1(c2cc(NC3CCC3)ccc2F)CNC[C@H](N)O1
InChIInChI=1S/C15H22FN3O/c1-15(9-18-8-14(17)20-15)12-7-11(5-6-13(12)16)19-10-3-2-4-10/h5-7,10,14,18-19H,2-4,8-9,17H2,1H3/t14-,15?/m1/s1
InChIKeyXUXUMECXMDMGES-GICMACPYSA-N
XLogP1.91
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine?
The IUPAC name of (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine (CID 70557748) is (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine.
What is the SMILES notation for (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine?
The canonical SMILES for (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine is CC1(c2cc(NC3CCC3)ccc2F)CNC[C@H](N)O1.
What is the InChIKey of (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine?
The InChIKey is XUXUMECXMDMGES-GICMACPYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-15(9-18-8-14(17)20-15)12-7-11(5-6-13(12)16)19-10-3-2-4-10/h5-7,10,14,18-19H,2-4,8-9,17H2,1H3/t14-,15?/m1/s1.
What are the key properties of (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine?
(2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine has a molecular weight of 279.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[5-(cyclobutylamino)-2-fluorophenyl]-6-methylmorpholin-2-amine is sourced from PubChem (CID 70557748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).