1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine

C15H22ClFN2O — CID 114866612

IUPAC1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
SMILESCCCN1CCOC(CNC)C1c1ccc(Cl)cc1F
InChIInChI=1S/C15H22ClFN2O/c1-3-6-19-7-8-20-14(10-18-2)15(19)12-5-4-11(16)9-13(12)17/h4-5,9,14-15,18H,3,6-8,10H2,1-2H3
InChIKeyIWFICWPTWLERFS-UHFFFAOYSA-N
MW300.80 g/mol
LogP2.85
Rot. Bonds5

About 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine

1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine (PubChem CID 114866612) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
PubChem CID114866612
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
SMILESCCCN1CCOC(CNC)C1c1ccc(Cl)cc1F
InChIInChI=1S/C15H22ClFN2O/c1-3-6-19-7-8-20-14(10-18-2)15(19)12-5-4-11(16)9-13(12)17/h4-5,9,14-15,18H,3,6-8,10H2,1-2H3
InChIKeyIWFICWPTWLERFS-UHFFFAOYSA-N
XLogP2.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine (CID 114866612) is 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine is CCCN1CCOC(CNC)C1c1ccc(Cl)cc1F.
What is the InChIKey of 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine?
The InChIKey is IWFICWPTWLERFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-3-6-19-7-8-20-14(10-18-2)15(19)12-5-4-11(16)9-13(12)17/h4-5,9,14-15,18H,3,6-8,10H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine?
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine has a molecular weight of 300.80 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114866612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).