(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine

C11H14BrN — CID 117352404

IUPAC(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
SMILESCc1ccc(Br)c(/C=C/CN)c1C
InChIInChI=1S/C11H14BrN/c1-8-5-6-11(12)10(9(8)2)4-3-7-13/h3-6H,7,13H2,1-2H3/b4-3+
InChIKeyLEULYDSOYPJLSO-ONEGZZNKSA-N
MW240.14 g/mol
LogP3.04
Rot. Bonds2

About (E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine

(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine (PubChem CID 117352404) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
PubChem CID117352404
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
SMILESCc1ccc(Br)c(/C=C/CN)c1C
InChIInChI=1S/C11H14BrN/c1-8-5-6-11(12)10(9(8)2)4-3-7-13/h3-6H,7,13H2,1-2H3/b4-3+
InChIKeyLEULYDSOYPJLSO-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

3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
2-(3-aminoprop-1-enyl)-3-bromophenol
CID 169464695
6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
CID 117277547
2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
CID 117278700
2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol
CID 117299504
2-(3-aminoprop-1-enyl)-6-fluoro-3-methylbenzaldehyde
CID 169463814
(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352410
(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
CID 82285295
1-bromo-2-[2-(3,4-dimethoxyphenyl)ethenyl]-3,4-dimethylbenzene
CID 141307971
(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
CID 117294018
2-(3-aminoprop-1-enyl)-3-methylbenzoic acid
CID 169463784
2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
CID 117283641

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine (CID 117352404) is (E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine is Cc1ccc(Br)c(/C=C/CN)c1C.
What is the InChIKey of (E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine?
The InChIKey is LEULYDSOYPJLSO-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-5-6-11(12)10(9(8)2)4-3-7-13/h3-6H,7,13H2,1-2H3/b4-3+.
What are the key properties of (E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine?
(E)-3-(6-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-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117352404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).