[1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine

C11H13BrClN — CID 117439066

IUPAC[1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine
SMILESCc1c(Cl)cc(Br)cc1C1(CN)CC1
InChIInChI=1S/C11H13BrClN/c1-7-9(11(6-14)2-3-11)4-8(12)5-10(7)13/h4-5H,2-3,6,14H2,1H3
InChIKeyIUKZNDOKCFKPQP-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.40
Rot. Bonds2

About [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine

[1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine (PubChem CID 117439066) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine
PubChem CID117439066
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name[1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine
SMILESCc1c(Cl)cc(Br)cc1C1(CN)CC1
InChIInChI=1S/C11H13BrClN/c1-7-9(11(6-14)2-3-11)4-8(12)5-10(7)13/h4-5H,2-3,6,14H2,1H3
InChIKeyIUKZNDOKCFKPQP-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
CID 84791909
[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428383
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
CID 117352237
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
[1-(3-chloro-2,5-dimethoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117392552
[1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine
CID 117441675
[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 117497040
[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
[1-(6-chloro-7-methyl-1H-indol-3-yl)cyclopropyl]methanamine
CID 82496496

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine (CID 117439066) is [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine is Cc1c(Cl)cc(Br)cc1C1(CN)CC1.
What is the InChIKey of [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine?
The InChIKey is IUKZNDOKCFKPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-7-9(11(6-14)2-3-11)4-8(12)5-10(7)13/h4-5H,2-3,6,14H2,1H3.
What are the key properties of [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine?
[1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine has a molecular weight of 274.59 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117439066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).