3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine

C15H22Cl2N2 — CID 54766009

IUPAC3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C15H22Cl2N2/c1-18(2)10-7-15(19-8-3-4-9-19)12-5-6-13(16)14(17)11-12/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyRTJQGAYVHIKRGT-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.08
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 54766009) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID54766009
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C15H22Cl2N2/c1-18(2)10-7-15(19-8-3-4-9-19)12-5-6-13(16)14(17)11-12/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyRTJQGAYVHIKRGT-UHFFFAOYSA-N
XLogP4.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine (CID 54766009) is 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine is CN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is RTJQGAYVHIKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-18(2)10-7-15(19-8-3-4-9-19)12-5-6-13(16)14(17)11-12/h5-6,11,15H,3-4,7-10H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine?
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 301.26 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,N-dimethyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 54766009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).