(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine

C11H14BrN — CID 103091622

IUPAC(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine
SMILESCc1cc(/C=C/C(C)N)ccc1Br
InChIInChI=1S/C11H14BrN/c1-8-7-10(4-3-9(2)13)5-6-11(8)12/h3-7,9H,13H2,1-2H3/b4-3+
InChIKeyOEZDKJHUIYWPSH-ONEGZZNKSA-N
MW240.14 g/mol
LogP3.12
Rot. Bonds2

About (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine

(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine (PubChem CID 103091622) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine
PubChem CID103091622
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine
SMILESCc1cc(/C=C/C(C)N)ccc1Br
InChIInChI=1S/C11H14BrN/c1-8-7-10(4-3-9(2)13)5-6-11(8)12/h3-7,9H,13H2,1-2H3/b4-3+
InChIKeyOEZDKJHUIYWPSH-ONEGZZNKSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(4-bromo-3-methylphenyl)-N-ethylbut-3-en-2-amine
CID 103092540
(E,2R)-4-(4-methylphenyl)but-3-en-2-amine
CID 96955830
(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol
CID 83537442
3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340621
3-(4-bromo-3-methylphenyl)prop-2-enoic acid
CID 69114236
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103091447
1-bromo-4-[(E)-3-bromobut-1-enyl]-2-chlorobenzene
CID 130539361
(E)-4-(4-phenylphenyl)but-3-en-2-amine
CID 83350140
(E)-4-(3,5-difluorophenyl)but-3-en-2-amine
CID 83349986
(E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine
CID 103091627
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine?
The IUPAC name of (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine (CID 103091622) is (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine is Cc1cc(/C=C/C(C)N)ccc1Br.
What is the InChIKey of (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine?
The InChIKey is OEZDKJHUIYWPSH-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-7-10(4-3-9(2)13)5-6-11(8)12/h3-7,9H,13H2,1-2H3/b4-3+.
What are the key properties of (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine?
(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine has a molecular weight of 240.14 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine is sourced from PubChem (CID 103091622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).