1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine

C11H13BrClN — CID 117439047

IUPAC1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C11H13BrClN/c1-7(14)11(4-5-11)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4-5,14H2,1H3
InChIKeyKSNDRJLJLAUELS-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.48
Rot. Bonds2

About 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine

1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine (PubChem CID 117439047) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine
PubChem CID117439047
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C11H13BrClN/c1-7(14)11(4-5-11)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4-5,14H2,1H3
InChIKeyKSNDRJLJLAUELS-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
2-[1-(1-aminoethyl)cyclopropyl]-4-bromo-6-ethylphenol
CID 117457295
1-[1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopropyl]ethanamine
CID 117422974
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
3-(5-bromo-2-chlorophenyl)oxetan-3-amine
CID 134828100
1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
CID 117456418
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
CID 117331542
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine (CID 117439047) is 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine is CC(N)C1(c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine?
The InChIKey is KSNDRJLJLAUELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-7(14)11(4-5-11)9-6-8(12)2-3-10(9)13/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine?
1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine has a molecular weight of 274.59 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2-chlorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117439047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).