(E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine

C13H18BrN — CID 105411808

IUPAC(E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNC/C(C)=C/c1ccc(C)c(Br)c1
InChIInChI=1S/C13H18BrN/c1-4-15-9-10(2)7-12-6-5-11(3)13(14)8-12/h5-8,15H,4,9H2,1-3H3/b10-7+
InChIKeyPOFCTZAZZYUOSO-JXMROGBWSA-N
MW268.20 g/mol
LogP3.77
Rot. Bonds4

About (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine

(E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 105411808) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID105411808
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name(E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNC/C(C)=C/c1ccc(C)c(Br)c1
InChIInChI=1S/C13H18BrN/c1-4-15-9-10(2)7-12-6-5-11(3)13(14)8-12/h5-8,15H,4,9H2,1-3H3/b10-7+
InChIKeyPOFCTZAZZYUOSO-JXMROGBWSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-3-methylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341442
3-(4-bromo-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340621
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine
CID 114077605
3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341319
N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
CID 79341427
(2Z)-2-[(3-bromo-4-methylphenyl)methylidene]butan-1-amine
CID 105411779
3-(3-cyclopropylphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79978296
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 79340694
3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341621
4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene
CID 79323664
2-[(4-bromo-3-methylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329444

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine (CID 105411808) is (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine is CCNC/C(C)=C/c1ccc(C)c(Br)c1.
What is the InChIKey of (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is POFCTZAZZYUOSO-JXMROGBWSA-N. The full InChI is InChI=1S/C13H18BrN/c1-4-15-9-10(2)7-12-6-5-11(3)13(14)8-12/h5-8,15H,4,9H2,1-3H3/b10-7+.
What are the key properties of (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
(E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromo-4-methylphenyl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105411808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).