1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine

C14H19Cl2N — CID 114229448

IUPAC1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine
SMILESCNCC1C(C)(C)C1(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-13(2)12(8-17-4)14(13,3)10-6-5-9(15)7-11(10)16/h5-7,12,17H,8H2,1-4H3
InChIKeyAATMCYOTRSXERY-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.13
Rot. Bonds3

About 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine

1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine (PubChem CID 114229448) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine
PubChem CID114229448
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine
SMILESCNCC1C(C)(C)C1(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-13(2)12(8-17-4)14(13,3)10-6-5-9(15)7-11(10)16/h5-7,12,17H,8H2,1-4H3
InChIKeyAATMCYOTRSXERY-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine (CID 114229448) is 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine is CNCC1C(C)(C)C1(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine?
The InChIKey is AATMCYOTRSXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-13(2)12(8-17-4)14(13,3)10-6-5-9(15)7-11(10)16/h5-7,12,17H,8H2,1-4H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine?
1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine has a molecular weight of 272.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 114229448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).