3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine

C15H19Cl2N — CID 57146559

IUPAC3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine
SMILESC=C(C(C)(C)N)C1(C)C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C15H19Cl2N/c1-10(13(2,3)18)14(4)12(15(14,16)17)11-8-6-5-7-9-11/h5-9,12H,1,18H2,2-4H3
InChIKeyJGYTVFOXUXDALQ-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.26
Rot. Bonds3

About 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine

3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine (PubChem CID 57146559) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine.

Molecular Properties

Compound Name3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine
PubChem CID57146559
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine
SMILESC=C(C(C)(C)N)C1(C)C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C15H19Cl2N/c1-10(13(2,3)18)14(4)12(15(14,16)17)11-8-6-5-7-9-11/h5-9,12H,1,18H2,2-4H3
InChIKeyJGYTVFOXUXDALQ-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine?
The IUPAC name of 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine (CID 57146559) is 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine.
What is the SMILES notation for 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine?
The canonical SMILES for 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine is C=C(C(C)(C)N)C1(C)C(c2ccccc2)C1(Cl)Cl.
What is the InChIKey of 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine?
The InChIKey is JGYTVFOXUXDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-10(13(2,3)18)14(4)12(15(14,16)17)11-8-6-5-7-9-11/h5-9,12H,1,18H2,2-4H3.
What are the key properties of 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine?
3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine has a molecular weight of 284.23 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloro-1-methyl-3-phenylcyclopropyl)-2-methylbut-3-en-2-amine is sourced from PubChem (CID 57146559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).