(2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine

C16H24Cl2N2 — CID 15113312

IUPAC(2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine
SMILESC[C@@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3/t13-/m0/s1
InChIKeyDBYCCKZCPWSDEM-ZDUSSCGKSA-N
MW315.29 g/mol
LogP3.95
Rot. Bonds6

About (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine

(2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 15113312) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID15113312
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name(2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine
SMILESC[C@@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3/t13-/m0/s1
InChIKeyDBYCCKZCPWSDEM-ZDUSSCGKSA-N
XLogP3.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine (CID 15113312) is (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine is C[C@@H](CN1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is DBYCCKZCPWSDEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-13(12-20-8-3-4-9-20)19(2)10-7-14-5-6-15(17)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine?
(2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 315.29 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 15113312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).