(1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine

C8H17FN2O — CID 89064472

IUPAC(1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine
SMILESCN(C)[C@](C)(F)N1CCOCC1
InChIInChI=1S/C8H17FN2O/c1-8(9,10(2)3)11-4-6-12-7-5-11/h4-7H2,1-3H3/t8-/m0/s1
InChIKeyQPPWIXIXKXISFO-QMMMGPOBSA-N
MW176.23 g/mol
LogP0.52
Rot. Bonds2

About (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine

(1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine (PubChem CID 89064472) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine
PubChem CID89064472
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name(1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine
SMILESCN(C)[C@](C)(F)N1CCOCC1
InChIInChI=1S/C8H17FN2O/c1-8(9,10(2)3)11-4-6-12-7-5-11/h4-7H2,1-3H3/t8-/m0/s1
InChIKeyQPPWIXIXKXISFO-QMMMGPOBSA-N
XLogP0.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine?
The IUPAC name of (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine (CID 89064472) is (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine.
What is the SMILES notation for (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine?
The canonical SMILES for (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine is CN(C)[C@](C)(F)N1CCOCC1.
What is the InChIKey of (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine?
The InChIKey is QPPWIXIXKXISFO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-8(9,10(2)3)11-4-6-12-7-5-11/h4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine?
(1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine has a molecular weight of 176.23 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine is sourced from PubChem (CID 89064472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).