3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine

C11H16FNO2 — CID 79493645

IUPAC3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(N)Cc1ccccc1F
InChIInChI=1S/C11H16FNO2/c1-14-11(15-2)10(13)7-8-5-3-4-6-9(8)12/h3-6,10-11H,7,13H2,1-2H3
InChIKeyYECVANKPOIXCNF-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.31
Rot. Bonds5

About 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine

3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine (PubChem CID 79493645) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine
PubChem CID79493645
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine
SMILESCOC(OC)C(N)Cc1ccccc1F
InChIInChI=1S/C11H16FNO2/c1-14-11(15-2)10(13)7-8-5-3-4-6-9(8)12/h3-6,10-11H,7,13H2,1-2H3
InChIKeyYECVANKPOIXCNF-UHFFFAOYSA-N
XLogP1.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine?
The IUPAC name of 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine (CID 79493645) is 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine?
The canonical SMILES for 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine is COC(OC)C(N)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine?
The InChIKey is YECVANKPOIXCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-11(15-2)10(13)7-8-5-3-4-6-9(8)12/h3-6,10-11H,7,13H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine?
3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine has a molecular weight of 213.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1,1-dimethoxypropan-2-amine is sourced from PubChem (CID 79493645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).