2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine

C13H18FNO2 — CID 103547010

IUPAC2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(CC1OCCO1)c1cc(C)cc(F)c1
InChIInChI=1S/C13H18FNO2/c1-9-5-10(7-11(14)6-9)12(15-2)8-13-16-3-4-17-13/h5-7,12-13,15H,3-4,8H2,1-2H3
InChIKeyPFOCUZQUNASAEA-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.16
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine

2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 103547010) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
PubChem CID103547010
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(CC1OCCO1)c1cc(C)cc(F)c1
InChIInChI=1S/C13H18FNO2/c1-9-5-10(7-11(14)6-9)12(15-2)8-13-16-3-4-17-13/h5-7,12-13,15H,3-4,8H2,1-2H3
InChIKeyPFOCUZQUNASAEA-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546759
2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 103546459
1-(3-fluoro-5-methylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346261
1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 105016325
2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 103547251
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142
2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546700
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 66418218
2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 103546964
1-(2,5-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546664
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine (CID 103547010) is 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine is CNC(CC1OCCO1)c1cc(C)cc(F)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is PFOCUZQUNASAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-5-10(7-11(14)6-9)12(15-2)8-13-16-3-4-17-13/h5-7,12-13,15H,3-4,8H2,1-2H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 103547010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).