2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine

C12H17NO2 — CID 117169445

IUPAC2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine
SMILESNCCC1COC(Cc2ccccc2)O1
InChIInChI=1S/C12H17NO2/c13-7-6-11-9-14-12(15-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyQSNMUNMCGKJXFG-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.32
Rot. Bonds4

About 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine

2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine (PubChem CID 117169445) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine
PubChem CID117169445
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine
SMILESNCCC1COC(Cc2ccccc2)O1
InChIInChI=1S/C12H17NO2/c13-7-6-11-9-14-12(15-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyQSNMUNMCGKJXFG-UHFFFAOYSA-N
XLogP1.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169642
2-[(2S,4S,5S)-4-benzyl-5-methyloxolan-2-yl]ethanamine
CID 124676151
2-(4-benzyl-5-methyloxolan-2-yl)ethanamine
CID 112757447
3-[2-[(3-hydroxyphenyl)methyl]-1,3-dioxolan-4-yl]propanoic acid
CID 117169531
2-[2-[(3-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117169456
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine
CID 117170111
2-benzyl-5-(2-benzyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 175617259
2-[2-[(4-chlorophenyl)methyl]-1,3-dioxolan-4-yl]acetonitrile
CID 117169694
2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine
CID 117170153
2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine
CID 82125758
2-[2-[(4-methylphenyl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117169666
N-[[(2S,4S)-2-benzyl-1,3-dioxolan-4-yl]methyl]-2-(2,6-dimethoxyphenoxy)ethanamine
CID 11037922

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine?
The IUPAC name of 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine (CID 117169445) is 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine?
The canonical SMILES for 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine is NCCC1COC(Cc2ccccc2)O1.
What is the InChIKey of 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine?
The InChIKey is QSNMUNMCGKJXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-7-6-11-9-14-12(15-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2.
What are the key properties of 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine?
2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine is sourced from PubChem (CID 117169445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).