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

C16H25FN2O — CID 106532257

IUPACN-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(N2CCOC(CC)C2)c1
InChIInChI=1S/C16H25FN2O/c1-3-5-18-11-13-8-14(17)10-15(9-13)19-6-7-20-16(4-2)12-19/h8-10,16,18H,3-7,11-12H2,1-2H3
InChIKeyKGJZVCQBSDOTIL-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.94
Rot. Bonds6

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

N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine (PubChem CID 106532257) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
PubChem CID106532257
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)cc(N2CCOC(CC)C2)c1
InChIInChI=1S/C16H25FN2O/c1-3-5-18-11-13-8-14(17)10-15(9-13)19-6-7-20-16(4-2)12-19/h8-10,16,18H,3-7,11-12H2,1-2H3
InChIKeyKGJZVCQBSDOTIL-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]ethanamine
CID 106532256
N-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532067
N-[[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-1-amine
CID 106532892
3-(2-ethylmorpholin-4-yl)-5-fluorobenzonitrile
CID 102815400
N-[[3-fluoro-5-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 106532578
N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058970
1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43562969
3-(2-ethyl-1,4-oxazepan-4-yl)-5-fluorobenzonitrile
CID 114218418
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]methyl]propan-1-amine
CID 106532857
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
N-[1-[4-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 43562789
N-[[1-(3,5-difluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081336

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine (CID 106532257) is N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine is CCCNCc1cc(F)cc(N2CCOC(CC)C2)c1.
What is the InChIKey of N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine?
The InChIKey is KGJZVCQBSDOTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-5-18-11-13-8-14(17)10-15(9-13)19-6-7-20-16(4-2)12-19/h8-10,16,18H,3-7,11-12H2,1-2H3.
What are the key properties of N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine?
N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 106532257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).