1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine

C10H11BrClN — CID 117405881

IUPAC1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(Cl)c2Br)CC1
InChIInChI=1S/C10H11BrClN/c11-9-7(2-1-3-8(9)12)6-10(13)4-5-10/h1-3H,4-6,13H2
InChIKeyZGUXHCXYUMGGSB-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.14
Rot. Bonds2

About 1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine

1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine (PubChem CID 117405881) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is 1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine
PubChem CID117405881
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(Cl)c2Br)CC1
InChIInChI=1S/C10H11BrClN/c11-9-7(2-1-3-8(9)12)6-10(13)4-5-10/h1-3H,4-6,13H2
InChIKeyZGUXHCXYUMGGSB-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.56
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-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine (CID 117405881) is 1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine is NC1(Cc2cccc(Cl)c2Br)CC1.
What is the InChIKey of 1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is ZGUXHCXYUMGGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c11-9-7(2-1-3-8(9)12)6-10(13)4-5-10/h1-3H,4-6,13H2.
What are the key properties of 1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine?
1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 260.56 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-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117405881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).