3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine

C11H22F2N2O2 — CID 170606907

IUPAC3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine
SMILESCNCC(OCC1CN(C)CCO1)C(C)(F)F
InChIInChI=1S/C11H22F2N2O2/c1-11(12,13)10(6-14-2)17-8-9-7-15(3)4-5-16-9/h9-10,14H,4-8H2,1-3H3
InChIKeyRECNAOFJMZRAQS-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.58
Rot. Bonds6

About 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine

3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine (PubChem CID 170606907) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine
PubChem CID170606907
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC Name3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine
SMILESCNCC(OCC1CN(C)CCO1)C(C)(F)F
InChIInChI=1S/C11H22F2N2O2/c1-11(12,13)10(6-14-2)17-8-9-7-15(3)4-5-16-9/h9-10,14H,4-8H2,1-3H3
InChIKeyRECNAOFJMZRAQS-UHFFFAOYSA-N
XLogP0.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine?
The IUPAC name of 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine (CID 170606907) is 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine is CNCC(OCC1CN(C)CCO1)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine?
The InChIKey is RECNAOFJMZRAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-11(12,13)10(6-14-2)17-8-9-7-15(3)4-5-16-9/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine?
3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine has a molecular weight of 252.30 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-2-[(4-methylmorpholin-2-yl)methoxy]butan-1-amine is sourced from PubChem (CID 170606907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).