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

C17H26Cl2N2 — CID 89437491

IUPAC3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCN(CC)CCC(c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C17H26Cl2N2/c1-3-20(4-2)12-9-17(21-10-5-6-11-21)14-7-8-15(18)16(19)13-14/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyNYBUFVNFJIAWTL-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.86
Rot. Bonds7

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

3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 89437491) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID89437491
Molecular FormulaC17H26Cl2N2
Molecular Weight329.32 g/mol
Exact Mass328.15
IUPAC Name3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCN(CC)CCC(c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C17H26Cl2N2/c1-3-20(4-2)12-9-17(21-10-5-6-11-21)14-7-8-15(18)16(19)13-14/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyNYBUFVNFJIAWTL-UHFFFAOYSA-N
XLogP4.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.86
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-diethyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine (CID 89437491) is 3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine is CCN(CC)CCC(c1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is NYBUFVNFJIAWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-3-20(4-2)12-9-17(21-10-5-6-11-21)14-7-8-15(18)16(19)13-14/h7-8,13,17H,3-6,9-12H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine?
3-(3,4-dichlorophenyl)-N,N-diethyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 329.32 g/mol, XLogP of 4.86, 7 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-diethyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 89437491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).