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

C10H12BrNO2 — CID 82159825

IUPAC[4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine
SMILESNCC1OCC(c2ccccc2Br)O1
InChIInChI=1S/C10H12BrNO2/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,9-10H,5-6,12H2
InChIKeyFCEOEEACELOJHP-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.82
Rot. Bonds2

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

[4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine (PubChem CID 82159825) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is [4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine
PubChem CID82159825
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name[4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine
SMILESNCC1OCC(c2ccccc2Br)O1
InChIInChI=1S/C10H12BrNO2/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,9-10H,5-6,12H2
InChIKeyFCEOEEACELOJHP-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine (CID 82159825) is [4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine is NCC1OCC(c2ccccc2Br)O1.
What is the InChIKey of [4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine?
The InChIKey is FCEOEEACELOJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,9-10H,5-6,12H2.
What are the key properties of [4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine?
[4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine has a molecular weight of 258.12 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromophenyl)-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 82159825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).