1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine

C10H12BrNO — CID 82622115

IUPAC1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(Br)cccc1C1(N)CC1
InChIInChI=1S/C10H12BrNO/c1-13-9-7(10(12)5-6-10)3-2-4-8(9)11/h2-4H,5-6,12H2,1H3
InChIKeyIFSKWKZWIJBJQJ-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.41
Rot. Bonds2

About 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine

1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine (PubChem CID 82622115) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine
PubChem CID82622115
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(Br)cccc1C1(N)CC1
InChIInChI=1S/C10H12BrNO/c1-13-9-7(10(12)5-6-10)3-2-4-8(9)11/h2-4H,5-6,12H2,1H3
InChIKeyIFSKWKZWIJBJQJ-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine (CID 82622115) is 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine is COc1c(Br)cccc1C1(N)CC1.
What is the InChIKey of 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is IFSKWKZWIJBJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-13-9-7(10(12)5-6-10)3-2-4-8(9)11/h2-4H,5-6,12H2,1H3.
What are the key properties of 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine?
1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 242.12 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 82622115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).