N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine

C16H25FN2O — CID 106532067

IUPACN-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H25FN2O/c1-4-5-18-9-14-6-15(17)8-16(7-14)19-10-12(2)20-13(3)11-19/h6-8,12-13,18H,4-5,9-11H2,1-3H3
InChIKeyWWTZESJKDHSMKE-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.94
Rot. Bonds5

About N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine

N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine (PubChem CID 106532067) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
PubChem CID106532067
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H25FN2O/c1-4-5-18-9-14-6-15(17)8-16(7-14)19-10-12(2)20-13(3)11-19/h6-8,12-13,18H,4-5,9-11H2,1-3H3
InChIKeyWWTZESJKDHSMKE-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine
CID 106532892
N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532257
N-[[3-fluoro-5-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 106532578
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]propan-1-amine
CID 104960962
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532857
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390520
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
N-[[3-fluoro-5-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 106533076
[6-methyl-4-[5-(propylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 102933644
N-[[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 106532936

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine (CID 106532067) is N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine is CCCNCc1cc(F)cc(N2CC(C)OC(C)C2)c1.
What is the InChIKey of N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine?
The InChIKey is WWTZESJKDHSMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-5-18-9-14-6-15(17)8-16(7-14)19-10-12(2)20-13(3)11-19/h6-8,12-13,18H,4-5,9-11H2,1-3H3.
What are the key properties of N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine?
N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 106532067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).