[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine

C10H11BrClN — CID 83735493

IUPAC[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C10H11BrClN/c11-8-5-7(1-2-9(8)12)10(6-13)3-4-10/h1-2,5H,3-4,6,13H2
InChIKeyKPCUSRVFHQJKSP-UHFFFAOYSA-N
MW260.56 g/mol
LogP3.09
Rot. Bonds2

About [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine

[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine (PubChem CID 83735493) has the molecular formula C10H11BrClN and a molecular weight of 260.56 g/mol. Its IUPAC name is [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
PubChem CID83735493
Molecular FormulaC10H11BrClN
Molecular Weight260.56 g/mol
Exact Mass258.98
IUPAC Name[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C10H11BrClN/c11-8-5-7(1-2-9(8)12)10(6-13)3-4-10/h1-2,5H,3-4,6,13H2
InChIKeyKPCUSRVFHQJKSP-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117477395
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
[1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine
CID 117471743
4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
CID 117455123
[1-(3-bromo-4-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117461520
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 105424377
[1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine
CID 117416499
[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine
CID 105424365
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine (CID 83735493) is [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine is NCC1(c2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine?
The InChIKey is KPCUSRVFHQJKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN/c11-8-5-7(1-2-9(8)12)10(6-13)3-4-10/h1-2,5H,3-4,6,13H2.
What are the key properties of [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine?
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine has a molecular weight of 260.56 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 83735493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).