(3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine

C15H15Cl2N3 — CID 23647096

IUPAC(3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine
SMILESN[C@H]1CN(c2ccccn2)C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c16-10-4-5-11(13(17)7-10)12-8-20(9-14(12)18)15-3-1-2-6-19-15/h1-7,12,14H,8-9,18H2/t12-,14+/m1/s1
InChIKeyALTLLWMJXRLXSQ-OCCSQVGLSA-N
MW308.21 g/mol
LogP3.32
Rot. Bonds2

About (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine

(3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine (PubChem CID 23647096) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine
PubChem CID23647096
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name(3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine
SMILESN[C@H]1CN(c2ccccn2)C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c16-10-4-5-11(13(17)7-10)12-8-20(9-14(12)18)15-3-1-2-6-19-15/h1-7,12,14H,8-9,18H2/t12-,14+/m1/s1
InChIKeyALTLLWMJXRLXSQ-OCCSQVGLSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine (CID 23647096) is (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine is N[C@H]1CN(c2ccccn2)C[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine?
The InChIKey is ALTLLWMJXRLXSQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c16-10-4-5-11(13(17)7-10)12-8-20(9-14(12)18)15-3-1-2-6-19-15/h1-7,12,14H,8-9,18H2/t12-,14+/m1/s1.
What are the key properties of (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine?
(3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine has a molecular weight of 308.21 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2,4-dichlorophenyl)-1-pyridin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 23647096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).