3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine

C11H14BrN — CID 79341618

IUPAC3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrN/c1-9(8-13-2)7-10-3-5-11(12)6-4-10/h3-7,13H,8H2,1-2H3
InChIKeyVCWIWQSFEVFWJQ-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.07
Rot. Bonds3

About 3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine

3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 79341618) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID79341618
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrN/c1-9(8-13-2)7-10-3-5-11(12)6-4-10/h3-7,13H,8H2,1-2H3
InChIKeyVCWIWQSFEVFWJQ-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine (CID 79341618) is 3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine is CNCC(C)=Cc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is VCWIWQSFEVFWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-9(8-13-2)7-10-3-5-11(12)6-4-10/h3-7,13H,8H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine?
3-(4-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-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79341618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).