1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine

C11H13Cl2N — CID 115003193

IUPAC1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine
SMILESCC(N)(c1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C11H13Cl2N/c1-11(14,7-2-3-7)9-6-8(12)4-5-10(9)13/h4-7H,2-3,14H2,1H3
InChIKeyOQDATGVQXLFCSA-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.58
Rot. Bonds2

About 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine

1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine (PubChem CID 115003193) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine
PubChem CID115003193
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine
SMILESCC(N)(c1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C11H13Cl2N/c1-11(14,7-2-3-7)9-6-8(12)4-5-10(9)13/h4-7H,2-3,14H2,1H3
InChIKeyOQDATGVQXLFCSA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine (CID 115003193) is 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine is CC(N)(c1cc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine?
The InChIKey is OQDATGVQXLFCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-11(14,7-2-3-7)9-6-8(12)4-5-10(9)13/h4-7H,2-3,14H2,1H3.
What are the key properties of 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine?
1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine has a molecular weight of 230.14 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 115003193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).