[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine

C12H16BrNO — CID 117428383

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

About [1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine

[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine (PubChem CID 117428383) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine
PubChem CID117428383
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine
SMILESCOc1cc(Br)c(C)c(C2(CN)CC2)c1
InChIInChI=1S/C12H16BrNO/c1-8-10(12(7-14)3-4-12)5-9(15-2)6-11(8)13/h5-6H,3-4,7,14H2,1-2H3
InChIKeyQYIDWYVPTDDFQK-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

[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428385
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
[1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine
CID 117439066
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine
CID 117342455
2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
CID 117432605
1-(3-bromo-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117481805
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005
[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117483371
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine (CID 117428383) is [1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine is COc1cc(Br)c(C)c(C2(CN)CC2)c1.
What is the InChIKey of [1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine?
The InChIKey is QYIDWYVPTDDFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-10(12(7-14)3-4-12)5-9(15-2)6-11(8)13/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of [1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine?
[1-(3-bromo-5-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-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117428383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).