1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine

C15H14BrNO3 — CID 43282407

IUPAC1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14BrNO3/c1-17-8-10-2-3-11(16)6-14(10)20-12-4-5-13-15(7-12)19-9-18-13/h2-7,17H,8-9H2,1H3
InChIKeyRDYGMIYYCMAZEM-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.69
Rot. Bonds4

About 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine

1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine (PubChem CID 43282407) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
PubChem CID43282407
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14BrNO3/c1-17-8-10-2-3-11(16)6-14(10)20-12-4-5-13-15(7-12)19-9-18-13/h2-7,17H,8-9H2,1H3
InChIKeyRDYGMIYYCMAZEM-UHFFFAOYSA-N
XLogP3.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
CID 43282413
1-[4-(1,3-benzodioxol-5-yloxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81254758
2-(1,3-benzodioxol-5-yloxy)-4-bromoaniline
CID 65342101
2-(1,3-benzodioxol-5-yloxy)-4-bromobenzaldehyde
CID 43364678
N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
CID 43282411
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
1-[2-(1,3-benzodioxol-5-yloxy)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 113377970
1-[4-bromo-2-(4-chloro-2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282565
1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282787
2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
CID 63868415
5-(4-ethylphenoxy)-1,3-benzodioxole
CID 142013581

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine (CID 43282407) is 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine is CNCc1ccc(Br)cc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine?
The InChIKey is RDYGMIYYCMAZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-17-8-10-2-3-11(16)6-14(10)20-12-4-5-13-15(7-12)19-9-18-13/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine?
1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine has a molecular weight of 336.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine is sourced from PubChem (CID 43282407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).