[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine

C12H15ClFN — CID 84791909

IUPAC[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
SMILESCc1c(Cl)cc(C2(CN)CC2)c(C)c1F
InChIInChI=1S/C12H15ClFN/c1-7-9(12(6-15)3-4-12)5-10(13)8(2)11(7)14/h5H,3-4,6,15H2,1-2H3
InChIKeyJYQUYDZWRAOSJW-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.09
Rot. Bonds2

About [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine

[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine (PubChem CID 84791909) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
PubChem CID84791909
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
SMILESCc1c(Cl)cc(C2(CN)CC2)c(C)c1F
InChIInChI=1S/C12H15ClFN/c1-7-9(12(6-15)3-4-12)5-10(13)8(2)11(7)14/h5H,3-4,6,15H2,1-2H3
InChIKeyJYQUYDZWRAOSJW-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)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-bromo-3-chloro-2-methylphenyl)cyclopropyl]methanamine
CID 117439066
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
CID 117361412
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 117304722
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301
(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine (CID 84791909) is [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine is Cc1c(Cl)cc(C2(CN)CC2)c(C)c1F.
What is the InChIKey of [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine?
The InChIKey is JYQUYDZWRAOSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-7-9(12(6-15)3-4-12)5-10(13)8(2)11(7)14/h5H,3-4,6,15H2,1-2H3.
What are the key properties of [1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine?
[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine has a molecular weight of 227.71 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-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 84791909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).