1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine

C14H19Cl2N — CID 65413766

IUPAC1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCNC(c1cccc(Cl)c1Cl)C1CCC(C)C1
InChIInChI=1S/C14H19Cl2N/c1-9-6-7-10(8-9)14(17-2)11-4-3-5-12(15)13(11)16/h3-5,9-10,14,17H,6-8H2,1-2H3
InChIKeySBSDJKHPCXEILJ-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.69
Rot. Bonds3

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

1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine (PubChem CID 65413766) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
PubChem CID65413766
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
SMILESCNC(c1cccc(Cl)c1Cl)C1CCC(C)C1
InChIInChI=1S/C14H19Cl2N/c1-9-6-7-10(8-9)14(17-2)11-4-3-5-12(15)13(11)16/h3-5,9-10,14,17H,6-8H2,1-2H3
InChIKeySBSDJKHPCXEILJ-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine (CID 65413766) is 1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine is CNC(c1cccc(Cl)c1Cl)C1CCC(C)C1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
The InChIKey is SBSDJKHPCXEILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-9-6-7-10(8-9)14(17-2)11-4-3-5-12(15)13(11)16/h3-5,9-10,14,17H,6-8H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine?
1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine has a molecular weight of 272.22 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 65413766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).