2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine

C15H23ClN2 — CID 166093282

IUPAC2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine
SMILESCC(C)CNC1CCN(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-11(2)10-17-14-8-9-18(3)15(14)12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,8-10H2,1-3H3
InChIKeyAUJICCSYHTXWLT-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.33
Rot. Bonds4

About 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine

2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine (PubChem CID 166093282) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine
PubChem CID166093282
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine
SMILESCC(C)CNC1CCN(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-11(2)10-17-14-8-9-18(3)15(14)12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,8-10H2,1-3H3
InChIKeyAUJICCSYHTXWLT-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine (CID 166093282) is 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine is CC(C)CNC1CCN(C)C1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine?
The InChIKey is AUJICCSYHTXWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(2)10-17-14-8-9-18(3)15(14)12-4-6-13(16)7-5-12/h4-7,11,14-15,17H,8-10H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine?
2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine has a molecular weight of 266.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 166093282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).