2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine

C12H16FNO2 — CID 117169642

IUPAC2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine
SMILESNCCC1COC(Cc2ccc(F)cc2)O1
InChIInChI=1S/C12H16FNO2/c13-10-3-1-9(2-4-10)7-12-15-8-11(16-12)5-6-14/h1-4,11-12H,5-8,14H2
InChIKeyBMKNSWKXCJPFPO-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.46
Rot. Bonds4

About 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine

2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine (PubChem CID 117169642) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine
PubChem CID117169642
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine
SMILESNCCC1COC(Cc2ccc(F)cc2)O1
InChIInChI=1S/C12H16FNO2/c13-10-3-1-9(2-4-10)7-12-15-8-11(16-12)5-6-14/h1-4,11-12H,5-8,14H2
InChIKeyBMKNSWKXCJPFPO-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-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]ethanamine
CID 11680163
4-(2-Aminoethyl)-2-ethyl-2-phenyl-1,3dioxolane
CID 73059933
4-Methylenedioxypropylamphetamine
CID 155882909
2-(4-Fluorophenyl)-1,3-dioxolane-2-propanamine
CID 6451539
2-[5-[2-(4-Fluorophenyl)ethyl]oxolan-2-yl]ethanamine
CID 11499649
4,4-Diethoxy-2-(4-fluorophenyl)butan-1-amine
CID 14127563
4,4-Diethoxy-2-(2-fluorophenyl)butan-1-amine
CID 14127564
2-[(4-Fluorophenyl)methyl]-4-methyl-1,3-dioxolane
CID 20671519
3-[(3,4-Difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 21189674
3-[5-(4-Fluorophenyl)oxolan-2-yl]oxypropan-1-amine
CID 54565080
4-[2-[(4-Fluorophenyl)methyl]-1,3-dioxolan-2-yl]piperidine
CID 67878080
(1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine
CID 68520146

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine (CID 117169642) is 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine is NCCC1COC(Cc2ccc(F)cc2)O1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is BMKNSWKXCJPFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-10-3-1-9(2-4-10)7-12-15-8-11(16-12)5-6-14/h1-4,11-12H,5-8,14H2.
What are the key properties of 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine?
2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine 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 2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 117169642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).