2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine

C12H16BrNO2 — CID 115614887

IUPAC2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cc(OC)ccc1OC
InChIInChI=1S/C12H16BrNO2/c1-9(13)7-14-8-10-6-11(15-2)4-5-12(10)16-3/h4-6,14H,1,7-8H2,2-3H3
InChIKeyTZFRLULIXPQEJN-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.70
Rot. Bonds6

About 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine

2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine (PubChem CID 115614887) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
PubChem CID115614887
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cc(OC)ccc1OC
InChIInChI=1S/C12H16BrNO2/c1-9(13)7-14-8-10-6-11(15-2)4-5-12(10)16-3/h4-6,14H,1,7-8H2,2-3H3
InChIKeyTZFRLULIXPQEJN-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
CID 24721947
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
3-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 43112090
N-[(2-bromo-4,6-dimethoxyphenyl)methyl]-1-(2,5-dimethoxyphenyl)methanamine
CID 71850610
N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide
CID 47439309
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
CID 23882259
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine (CID 115614887) is 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine is C=C(Br)CNCc1cc(OC)ccc1OC.
What is the InChIKey of 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine?
The InChIKey is TZFRLULIXPQEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(13)7-14-8-10-6-11(15-2)4-5-12(10)16-3/h4-6,14H,1,7-8H2,2-3H3.
What are the key properties of 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine?
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine has a molecular weight of 286.17 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 115614887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).