(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine

C11H14BrN — CID 117352410

IUPAC(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
SMILESCc1cc(Br)cc(/C=C/CN)c1C
InChIInChI=1S/C11H14BrN/c1-8-6-11(12)7-10(9(8)2)4-3-5-13/h3-4,6-7H,5,13H2,1-2H3/b4-3+
InChIKeyWFJUPLNSHVEUTN-ONEGZZNKSA-N
MW240.14 g/mol
LogP3.04
Rot. Bonds2

About (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine

(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine (PubChem CID 117352410) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
PubChem CID117352410
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
SMILESCc1cc(Br)cc(/C=C/CN)c1C
InChIInChI=1S/C11H14BrN/c1-8-6-11(12)7-10(9(8)2)4-3-5-13/h3-4,6-7H,5,13H2,1-2H3/b4-3+
InChIKeyWFJUPLNSHVEUTN-ONEGZZNKSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-aminoprop-1-enyl)-4,6-dibromophenol
CID 169464646
(E)-3-(5-bromo-3-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 117443203
(E)-3-(5-bromo-2-methylsulfonylphenyl)prop-2-en-1-amine
CID 117468723
(E)-3-(3-chloro-5-methoxy-2-methylphenyl)prop-2-en-1-amine
CID 117302321
(E)-3-(2-bromo-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117393264
(E)-3-(5-bromo-2,4-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460762
2-[(E)-3-aminoprop-1-enyl]-4,5-dimethylbenzaldehyde
CID 117281497
(E)-3-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 117428270
(E)-3-(6-bromo-1,3-benzodioxol-4-yl)prop-2-en-1-amine
CID 117393186
(E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
CID 117388100
(E)-3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 117312664
3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
CID 169463160

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine (CID 117352410) is (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine is Cc1cc(Br)cc(/C=C/CN)c1C.
What is the InChIKey of (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine?
The InChIKey is WFJUPLNSHVEUTN-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-6-11(12)7-10(9(8)2)4-3-5-13/h3-4,6-7H,5,13H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine?
(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117352410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).