2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine

C12H16BrN — CID 69076107

IUPAC2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
SMILESCc1ccc(CC(N)C2CC2)cc1Br
InChIInChI=1S/C12H16BrN/c1-8-2-3-9(6-11(8)13)7-12(14)10-4-5-10/h2-3,6,10,12H,4-5,7,14H2,1H3
InChIKeyIFNOXWSLLYQWIB-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.04
Rot. Bonds3

About 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine

2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine (PubChem CID 69076107) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
PubChem CID69076107
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
SMILESCc1ccc(CC(N)C2CC2)cc1Br
InChIInChI=1S/C12H16BrN/c1-8-2-3-9(6-11(8)13)7-12(14)10-4-5-10/h2-3,6,10,12H,4-5,7,14H2,1H3
InChIKeyIFNOXWSLLYQWIB-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
CID 130608339
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415430
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
2-(3-bromo-4-methoxyphenyl)-1-(oxan-4-yl)ethanamine
CID 65334383
2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423604
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81473930
2-(1-benzofuran-5-yl)-1-cyclopropylethanamine
CID 83831831

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine (CID 69076107) is 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine is Cc1ccc(CC(N)C2CC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine?
The InChIKey is IFNOXWSLLYQWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-2-3-9(6-11(8)13)7-12(14)10-4-5-10/h2-3,6,10,12H,4-5,7,14H2,1H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine?
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine is sourced from PubChem (CID 69076107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).