[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine

C12H16BrN — CID 117388160

IUPAC[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
SMILESCc1ccc(Br)c(C2(CN)CC2)c1C
InChIInChI=1S/C12H16BrN/c1-8-3-4-10(13)11(9(8)2)12(7-14)5-6-12/h3-4H,5-7,14H2,1-2H3
InChIKeyLHPJUADLLAUYBH-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.06
Rot. Bonds2

About [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine

[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine (PubChem CID 117388160) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
PubChem CID117388160
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
SMILESCc1ccc(Br)c(C2(CN)CC2)c1C
InChIInChI=1S/C12H16BrN/c1-8-3-4-10(13)11(9(8)2)12(7-14)5-6-12/h3-4H,5-7,14H2,1-2H3
InChIKeyLHPJUADLLAUYBH-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol
CID 117428377
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
CID 117312988
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[1-(2,6,7-trimethyl-1H-indol-3-yl)cyclopropyl]methanamine
CID 82494845
[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine
CID 117446810
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 117304722

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine (CID 117388160) is [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine is Cc1ccc(Br)c(C2(CN)CC2)c1C.
What is the InChIKey of [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine?
The InChIKey is LHPJUADLLAUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-3-4-10(13)11(9(8)2)12(7-14)5-6-12/h3-4H,5-7,14H2,1-2H3.
What are the key properties of [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine?
[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine has a molecular weight of 254.17 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117388160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).