1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide

C15H15BrFNO2 — CID 24746954

IUPAC1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide
SMILESBr.Fc1ccccc1CNCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14FNO2.BrH/c16-13-4-2-1-3-12(13)9-17-8-11-5-6-14-15(7-11)19-10-18-14;/h1-7,17H,8-10H2;1H
InChIKeyIUUWKWDTXMAKOT-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.42
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide

1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide (PubChem CID 24746954) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide
PubChem CID24746954
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide
SMILESBr.Fc1ccccc1CNCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14FNO2.BrH/c16-13-4-2-1-3-12(13)9-17-8-11-5-6-14-15(7-11)19-10-18-14;/h1-7,17H,8-10H2;1H
InChIKeyIUUWKWDTXMAKOT-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide (CID 24746954) is 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide is Br.Fc1ccccc1CNCc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide?
The InChIKey is IUUWKWDTXMAKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2.BrH/c16-13-4-2-1-3-12(13)9-17-8-11-5-6-14-15(7-11)19-10-18-14;/h1-7,17H,8-10H2;1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide?
1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide has a molecular weight of 340.19 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide is sourced from PubChem (CID 24746954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).