3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine

C11H14BrN — CID 79340471

IUPAC3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c1-9(8-13-2)6-10-4-3-5-11(12)7-10/h3-7,13H,8H2,1-2H3
InChIKeyJOEQQHPLTPZUAJ-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.07
Rot. Bonds3

About 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine

3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 79340471) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID79340471
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c1-9(8-13-2)6-10-4-3-5-11(12)7-10/h3-7,13H,8H2,1-2H3
InChIKeyJOEQQHPLTPZUAJ-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340531
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338287
3-(3-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340878
3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79341618
1-bromo-3-[(E)-2-methylhept-1-enyl]benzene
CID 173028155
(E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 107105350
3-(5-bromo-2-methoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340667
(2Z)-2-[(3-bromophenyl)methylidene]butanoic acid
CID 88925191
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
1-bromo-3-(2,2-difluoroethenyl)benzene
CID 11356427
methyl (2E)-2-[(3-bromophenyl)methylidene]-3-oxobutanoate
CID 18401861

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine (CID 79340471) is 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine is CNCC(C)=Cc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is JOEQQHPLTPZUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-9(8-13-2)6-10-4-3-5-11(12)7-10/h3-7,13H,8H2,1-2H3.
What are the key properties of 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine?
3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79340471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).