1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine

C13H24F2N2O — CID 114224180

IUPAC1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1CC1CCCC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-16-8-12-10-18-6-5-17(12)9-11-3-2-4-13(14,15)7-11/h11-12,16H,2-10H2,1H3
InChIKeyBASDBQCOIPTDEK-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.73
Rot. Bonds4

About 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine

1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine (PubChem CID 114224180) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine
PubChem CID114224180
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1CC1CCCC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-16-8-12-10-18-6-5-17(12)9-11-3-2-4-13(14,15)7-11/h11-12,16H,2-10H2,1H3
InChIKeyBASDBQCOIPTDEK-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine (CID 114224180) is 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine is CNCC1COCCN1CC1CCCC(F)(F)C1.
What is the InChIKey of 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine?
The InChIKey is BASDBQCOIPTDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-16-8-12-10-18-6-5-17(12)9-11-3-2-4-13(14,15)7-11/h11-12,16H,2-10H2,1H3.
What are the key properties of 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine?
1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine has a molecular weight of 262.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114224180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).