1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine

C13H18ClN — CID 105481536

IUPAC1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1ccc(CCC2(N)CC2)c(C)c1Cl
InChIInChI=1S/C13H18ClN/c1-9-3-4-11(10(2)12(9)14)5-6-13(15)7-8-13/h3-4H,5-8,15H2,1-2H3
InChIKeyVXMICZWJIBSPAQ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.38
Rot. Bonds3

About 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine

1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105481536) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105481536
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1ccc(CCC2(N)CC2)c(C)c1Cl
InChIInChI=1S/C13H18ClN/c1-9-3-4-11(10(2)12(9)14)5-6-13(15)7-8-13/h3-4H,5-8,15H2,1-2H3
InChIKeyVXMICZWJIBSPAQ-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine (CID 105481536) is 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine is Cc1ccc(CCC2(N)CC2)c(C)c1Cl.
What is the InChIKey of 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is VXMICZWJIBSPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-3-4-11(10(2)12(9)14)5-6-13(15)7-8-13/h3-4H,5-8,15H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105481536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).