2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine

C15H21Cl2N — CID 65414577

IUPAC2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1CCC(C)C1
InChIInChI=1S/C15H21Cl2N/c1-10-3-4-11(7-10)15(18-2)9-12-8-13(16)5-6-14(12)17/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3
InChIKeyAMTZVHIXTZNNJE-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.56
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine

2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine (PubChem CID 65414577) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
PubChem CID65414577
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1CCC(C)C1
InChIInChI=1S/C15H21Cl2N/c1-10-3-4-11(7-10)15(18-2)9-12-8-13(16)5-6-14(12)17/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3
InChIKeyAMTZVHIXTZNNJE-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine (CID 65414577) is 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine is CNC(Cc1cc(Cl)ccc1Cl)C1CCC(C)C1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine?
The InChIKey is AMTZVHIXTZNNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-10-3-4-11(7-10)15(18-2)9-12-8-13(16)5-6-14(12)17/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine?
2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine has a molecular weight of 286.25 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine is sourced from PubChem (CID 65414577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).