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

C11H14BrNO2 — CID 82160188

IUPAC2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine
SMILESNCCC1OCC(c2ccccc2Br)O1
InChIInChI=1S/C11H14BrNO2/c12-9-4-2-1-3-8(9)10-7-14-11(15-10)5-6-13/h1-4,10-11H,5-7,13H2
InChIKeyNCSZPYXACSHOFF-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.21
Rot. Bonds3

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

2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine (PubChem CID 82160188) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine
PubChem CID82160188
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine
SMILESNCCC1OCC(c2ccccc2Br)O1
InChIInChI=1S/C11H14BrNO2/c12-9-4-2-1-3-8(9)10-7-14-11(15-10)5-6-13/h1-4,10-11H,5-7,13H2
InChIKeyNCSZPYXACSHOFF-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-bromophenyl)oxirane
CID 30071402
[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
CID 82158224
2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine
CID 82158506
2-(2-bromophenyl)-1,4,7,10-tetraoxacyclododecane
CID 619658
[(1R,2R)-2-(2-bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572752
2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine
CID 117169445
2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine
CID 82625462
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
2-(2-bromophenyl)-2,3-dihydropyran-6-one
CID 54756664
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 130978437
butanal;2-phenyloxirane;4-phenyl-2-propyl-1,3-dioxolane
CID 158152316

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine?
The IUPAC name of 2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine (CID 82160188) is 2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine is NCCC1OCC(c2ccccc2Br)O1.
What is the InChIKey of 2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine?
The InChIKey is NCSZPYXACSHOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-9-4-2-1-3-8(9)10-7-14-11(15-10)5-6-13/h1-4,10-11H,5-7,13H2.
What are the key properties of 2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine?
2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine has a molecular weight of 272.14 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine is sourced from PubChem (CID 82160188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).