1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine

C13H19FN2O — CID 43542423

IUPAC1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCOCC2C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-10-9-17-6-5-16(10)13-4-3-11(8-15-2)7-12(13)14/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyHHXPDTCOCSBJIM-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.77
Rot. Bonds3

About 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine

1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine (PubChem CID 43542423) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
PubChem CID43542423
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCOCC2C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-10-9-17-6-5-16(10)13-4-3-11(8-15-2)7-12(13)14/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyHHXPDTCOCSBJIM-UHFFFAOYSA-N
XLogP1.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542420
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 43542433
2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120673
N-methyl-1-[6-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 62281160
N-methyl-1-[4-(3-methylmorpholin-4-yl)quinolin-2-yl]methanamine
CID 63374483
1-[3-fluoro-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62974161
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine
CID 54980972
[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 62121725
[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 63051426
4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098530
2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine
CID 63783744
1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluorophenyl]-N-methylmethanamine
CID 63193329

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine (CID 43542423) is 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine is CNCc1ccc(N2CCOCC2C)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is HHXPDTCOCSBJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-9-17-6-5-16(10)13-4-3-11(8-15-2)7-12(13)14/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine?
1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43542423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).