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

C12H16FNO2 — CID 103543989

IUPAC2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(N)CC1OCCO1
InChIInChI=1S/C12H16FNO2/c1-8-2-3-9(13)6-10(8)11(14)7-12-15-4-5-16-12/h2-3,6,11-12H,4-5,7,14H2,1H3
InChIKeyZOPUKFUOSLLNOO-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.90
Rot. Bonds3

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

2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 103543989) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID103543989
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(N)CC1OCCO1
InChIInChI=1S/C12H16FNO2/c1-8-2-3-9(13)6-10(8)11(14)7-12-15-4-5-16-12/h2-3,6,11-12H,4-5,7,14H2,1H3
InChIKeyZOPUKFUOSLLNOO-UHFFFAOYSA-N
XLogP1.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol
CID 171267944
1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
(1R,2S)-2-amino-1-cyclopropyl-2-(5-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267945

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine (CID 103543989) is 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1C(N)CC1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is ZOPUKFUOSLLNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-2-3-9(13)6-10(8)11(14)7-12-15-4-5-16-12/h2-3,6,11-12H,4-5,7,14H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 225.26 g/mol, XLogP of 1.90, 3 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-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 103543989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).