N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine

C15H23FN2O — CID 43542420

IUPACN-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCOCC2C)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(2)17-9-13-4-5-15(14(16)8-13)18-6-7-19-10-12(18)3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyAFJRTFSSPLCOLP-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.55
Rot. Bonds4

About N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine

N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine (PubChem CID 43542420) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
PubChem CID43542420
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCOCC2C)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(2)17-9-13-4-5-15(14(16)8-13)18-6-7-19-10-12(18)3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyAFJRTFSSPLCOLP-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.55
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

1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43542423
N-[[3-fluoro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine
CID 102884919
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
N-[[2-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542425
N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120673
N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045538
N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058827
N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62281138
N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 43281003
N-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62280987
N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62281297

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine (CID 43542420) is N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(N2CCOCC2C)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
The InChIKey is AFJRTFSSPLCOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)17-9-13-4-5-15(14(16)8-13)18-6-7-19-10-12(18)3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine?
N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine has a molecular weight of 266.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43542420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).