1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine

C13H18BrNO — CID 117457314

IUPAC1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(C2(C(C)N)CC2)ccc(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-8-4-5-10(12(16-3)11(8)14)13(6-7-13)9(2)15/h4-5,9H,6-7,15H2,1-3H3
InChIKeyBUTZFQCYEKHZHG-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.14
Rot. Bonds3

About 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine

1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117457314) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
PubChem CID117457314
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(C2(C(C)N)CC2)ccc(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-8-4-5-10(12(16-3)11(8)14)13(6-7-13)9(2)15/h4-5,9H,6-7,15H2,1-3H3
InChIKeyBUTZFQCYEKHZHG-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
CID 117366115
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377084
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine
CID 117118377
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
1-[1-(2-bromo-4-methylphenyl)cyclopropyl]ethanamine
CID 117388136
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine (CID 117457314) is 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine is COc1c(C2(C(C)N)CC2)ccc(C)c1Br.
What is the InChIKey of 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is BUTZFQCYEKHZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-8-4-5-10(12(16-3)11(8)14)13(6-7-13)9(2)15/h4-5,9H,6-7,15H2,1-3H3.
What are the key properties of 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine?
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 284.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117457314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).