1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine

C15H22BrNO — CID 117497496

IUPAC1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(C(C)C)cc(C2(C(C)N)CC2)c1Br
InChIInChI=1S/C15H22BrNO/c1-9(2)11-7-12(14(16)13(8-11)18-4)15(5-6-15)10(3)17/h7-10H,5-6,17H2,1-4H3
InChIKeyQLUUNLSCSWQDFY-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.96
Rot. Bonds4

About 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine

1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine (PubChem CID 117497496) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
PubChem CID117497496
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(C(C)C)cc(C2(C(C)N)CC2)c1Br
InChIInChI=1S/C15H22BrNO/c1-9(2)11-7-12(14(16)13(8-11)18-4)15(5-6-15)10(3)17/h7-10H,5-6,17H2,1-4H3
InChIKeyQLUUNLSCSWQDFY-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117480546
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382009
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 117342983
1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461403
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
2-amino-2-(2-bromo-3-methoxy-5-propan-2-ylphenyl)acetic acid
CID 117486474

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine (CID 117497496) is 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine is COc1cc(C(C)C)cc(C2(C(C)N)CC2)c1Br.
What is the InChIKey of 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
The InChIKey is QLUUNLSCSWQDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-9(2)11-7-12(14(16)13(8-11)18-4)15(5-6-15)10(3)17/h7-10H,5-6,17H2,1-4H3.
What are the key properties of 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117497496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).