1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine

C15H22BrNO — CID 117118377

IUPAC1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(C)c(C)c(C2(C(C)N)CC2)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-8-9(2)14(18-5)13(16)10(3)12(8)15(6-7-15)11(4)17/h11H,6-7,17H2,1-5H3
InChIKeyRYOMONPMQQSJNA-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.76
Rot. Bonds3

About 1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine

1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine (PubChem CID 117118377) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine
PubChem CID117118377
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(C)c(C)c(C2(C(C)N)CC2)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-8-9(2)14(18-5)13(16)10(3)12(8)15(6-7-15)11(4)17/h11H,6-7,17H2,1-5H3
InChIKeyRYOMONPMQQSJNA-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropan-1-amine
CID 117112420
1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine
CID 117499649
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine
CID 117113313
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
CID 117386300
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
CID 117116896
1-bromo-5-(1-isocyanatocyclopentyl)-2-methoxy-3,4,6-trimethylbenzene
CID 117112671
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine (CID 117118377) is 1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine is COc1c(C)c(C)c(C2(C(C)N)CC2)c(C)c1Br.
What is the InChIKey of 1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine?
The InChIKey is RYOMONPMQQSJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-8-9(2)14(18-5)13(16)10(3)12(8)15(6-7-15)11(4)17/h11H,6-7,17H2,1-5H3.
What are the key properties of 1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine?
1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.76, 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-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117118377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).