1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine

C11H14ClN — CID 84773855

IUPAC1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(Cl)cc(C2(N)CC2)c1C
InChIInChI=1S/C11H14ClN/c1-7-5-9(12)6-10(8(7)2)11(13)3-4-11/h5-6H,3-4,13H2,1-2H3
InChIKeyCLSXBOZUHSAPNU-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.90
Rot. Bonds1

About 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine

1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine (PubChem CID 84773855) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
PubChem CID84773855
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(Cl)cc(C2(N)CC2)c1C
InChIInChI=1S/C11H14ClN/c1-7-5-9(12)6-10(8(7)2)11(13)3-4-11/h5-6H,3-4,13H2,1-2H3
InChIKeyCLSXBOZUHSAPNU-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine (CID 84773855) is 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine is Cc1cc(Cl)cc(C2(N)CC2)c1C.
What is the InChIKey of 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is CLSXBOZUHSAPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-7-5-9(12)6-10(8(7)2)11(13)3-4-11/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine?
1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84773855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).