1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine

C12H16FNO2 — CID 103543902

IUPAC1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccccc1F)CC1OCCO1
InChIInChI=1S/C12H16FNO2/c13-11-4-2-1-3-9(11)7-10(14)8-12-15-5-6-16-12/h1-4,10,12H,5-8,14H2
InChIKeyVKPMONPMNUMZKU-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.46
Rot. Bonds4

About 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine

1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine (PubChem CID 103543902) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
PubChem CID103543902
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccccc1F)CC1OCCO1
InChIInChI=1S/C12H16FNO2/c13-11-4-2-1-3-9(11)7-10(14)8-12-15-5-6-16-12/h1-4,10,12H,5-8,14H2
InChIKeyVKPMONPMNUMZKU-UHFFFAOYSA-N
XLogP1.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547608
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 105090028
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
4-cyclopentyl-1-(2-fluorophenyl)butan-2-amine
CID 61080006
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
[1-(2-fluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105206863
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
CID 65139996
1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546759

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine (CID 103543902) is 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine is NC(Cc1ccccc1F)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is VKPMONPMNUMZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-4-2-1-3-9(11)7-10(14)8-12-15-5-6-16-12/h1-4,10,12H,5-8,14H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine?
1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine has a molecular weight of 225.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 103543902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).