3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine

C12H16BrNO — CID 79340667

IUPAC3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1cc(Br)ccc1OC
InChIInChI=1S/C12H16BrNO/c1-9(8-14-2)6-10-7-11(13)4-5-12(10)15-3/h4-7,14H,8H2,1-3H3
InChIKeyRQPMYJFKOYJWEI-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.08
Rot. Bonds4

About 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine

3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 79340667) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID79340667
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1cc(Br)ccc1OC
InChIInChI=1S/C12H16BrNO/c1-9(8-14-2)6-10-7-11(13)4-5-12(10)15-3/h4-7,14H,8H2,1-3H3
InChIKeyRQPMYJFKOYJWEI-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(3-bromo-2-methylprop-1-enyl)-1-methoxybenzene
CID 79323542
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572
2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 79338927
3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79341618
N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
CID 79340779
3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340471
3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340569
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
3-(4-bromo-2-methoxyphenyl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170815440
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
5-bromo-2-methoxy-N-(3-methylbut-2-enyl)aniline
CID 107899816
N-(2-amino-2-oxoethyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 78911973

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine (CID 79340667) is 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine is CNCC(C)=Cc1cc(Br)ccc1OC.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is RQPMYJFKOYJWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9(8-14-2)6-10-7-11(13)4-5-12(10)15-3/h4-7,14H,8H2,1-3H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 270.17 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79340667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).