3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine

C13H21FN2O2 — CID 142457155

IUPAC3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine
SMILESCONC(C)c1ccc(C(OC)C(N)CF)cc1
InChIInChI=1S/C13H21FN2O2/c1-9(16-18-3)10-4-6-11(7-5-10)13(17-2)12(15)8-14/h4-7,9,12-13,16H,8,15H2,1-3H3
InChIKeyLSGPGMOETTXNMF-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.88
Rot. Bonds7

About 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine

3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine (PubChem CID 142457155) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine.

Molecular Properties

Compound Name3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine
PubChem CID142457155
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine
SMILESCONC(C)c1ccc(C(OC)C(N)CF)cc1
InChIInChI=1S/C13H21FN2O2/c1-9(16-18-3)10-4-6-11(7-5-10)13(17-2)12(15)8-14/h4-7,9,12-13,16H,8,15H2,1-3H3
InChIKeyLSGPGMOETTXNMF-UHFFFAOYSA-N
XLogP1.88
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine?
The IUPAC name of 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine (CID 142457155) is 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine.
What is the SMILES notation for 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine?
The canonical SMILES for 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine is CONC(C)c1ccc(C(OC)C(N)CF)cc1.
What is the InChIKey of 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine?
The InChIKey is LSGPGMOETTXNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-9(16-18-3)10-4-6-11(7-5-10)13(17-2)12(15)8-14/h4-7,9,12-13,16H,8,15H2,1-3H3.
What are the key properties of 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine?
3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine has a molecular weight of 256.32 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxy-1-[4-[1-(methoxyamino)ethyl]phenyl]propan-2-amine is sourced from PubChem (CID 142457155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).