1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine

C13H18FNO2 — CID 86782015

IUPAC1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
SMILESCC(NCC1(C)OCCO1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-10(11-4-3-5-12(14)8-11)15-9-13(2)16-6-7-17-13/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyKWLZOFFMYIQGNB-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.24
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine

1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine (PubChem CID 86782015) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
PubChem CID86782015
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine
SMILESCC(NCC1(C)OCCO1)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-10(11-4-3-5-12(14)8-11)15-9-13(2)16-6-7-17-13/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyKWLZOFFMYIQGNB-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine (CID 86782015) is 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine is CC(NCC1(C)OCCO1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
The InChIKey is KWLZOFFMYIQGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(11-4-3-5-12(14)8-11)15-9-13(2)16-6-7-17-13/h3-5,8,10,15H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine?
1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 86782015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).