1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine

C19H22Cl2N2 — CID 67531267

IUPAC1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1CNCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2/c1-22-19(9-13-5-3-2-4-6-13)16-12-23-11-15(16)14-7-8-17(20)18(21)10-14/h2-8,10,15-16,19,22-23H,9,11-12H2,1H3
InChIKeyKWOXKVFGDFOLBA-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.13
Rot. Bonds5

About 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine

1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine (PubChem CID 67531267) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine
PubChem CID67531267
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1CNCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2/c1-22-19(9-13-5-3-2-4-6-13)16-12-23-11-15(16)14-7-8-17(20)18(21)10-14/h2-8,10,15-16,19,22-23H,9,11-12H2,1H3
InChIKeyKWOXKVFGDFOLBA-UHFFFAOYSA-N
XLogP4.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine (CID 67531267) is 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)C1CNCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine?
The InChIKey is KWOXKVFGDFOLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2/c1-22-19(9-13-5-3-2-4-6-13)16-12-23-11-15(16)14-7-8-17(20)18(21)10-14/h2-8,10,15-16,19,22-23H,9,11-12H2,1H3.
What are the key properties of 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine?
1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine has a molecular weight of 349.31 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 67531267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).