[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine

C12H16BrNO — CID 117428385

IUPAC[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C)c(C2(CN)CC2)cc1Br
InChIInChI=1S/C12H16BrNO/c1-8-5-11(15-2)10(13)6-9(8)12(7-14)3-4-12/h5-6H,3-4,7,14H2,1-2H3
InChIKeyYOCJUFUMGRMXJO-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.76
Rot. Bonds3

About [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine

[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine (PubChem CID 117428385) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
PubChem CID117428385
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(C)c(C2(CN)CC2)cc1Br
InChIInChI=1S/C12H16BrNO/c1-8-5-11(15-2)10(13)6-9(8)12(7-14)3-4-12/h5-6H,3-4,7,14H2,1-2H3
InChIKeyYOCJUFUMGRMXJO-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
CID 117432605
[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117483371
[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 82296042
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428383
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine
CID 84812408
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
1-(5-bromo-4-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481809
[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117480546
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine (CID 117428385) is [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine is COc1cc(C)c(C2(CN)CC2)cc1Br.
What is the InChIKey of [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine?
The InChIKey is YOCJUFUMGRMXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-5-11(15-2)10(13)6-9(8)12(7-14)3-4-12/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine?
[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine has a molecular weight of 270.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117428385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).