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

C12H16BrN — CID 117388142

IUPAC1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
SMILESCc1c(Br)cccc1C1(C(C)N)CC1
InChIInChI=1S/C12H16BrN/c1-8-10(4-3-5-11(8)13)12(6-7-12)9(2)14/h3-5,9H,6-7,14H2,1-2H3
InChIKeyKUNWWPKPBZTXDR-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.14
Rot. Bonds2

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

1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117388142) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
PubChem CID117388142
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
SMILESCc1c(Br)cccc1C1(C(C)N)CC1
InChIInChI=1S/C12H16BrN/c1-8-10(4-3-5-11(8)13)12(6-7-12)9(2)14/h3-5,9H,6-7,14H2,1-2H3
InChIKeyKUNWWPKPBZTXDR-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine (CID 117388142) is 1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine is Cc1c(Br)cccc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is KUNWWPKPBZTXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-10(4-3-5-11(8)13)12(6-7-12)9(2)14/h3-5,9H,6-7,14H2,1-2H3.
What are the key properties of 1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine?
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117388142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).