(2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine

C17H18Cl2N2 — CID 11659767

IUPAC(2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine
SMILESClc1cccc(CN[C@H]2CCN[C@H]2c2ccccc2)c1Cl
InChIInChI=1S/C17H18Cl2N2/c18-14-8-4-7-13(16(14)19)11-21-15-9-10-20-17(15)12-5-2-1-3-6-12/h1-8,15,17,20-21H,9-11H2/t15-,17-/m0/s1
InChIKeyAMNWGSGTKLDTSY-RDJZCZTQSA-N
MW321.25 g/mol
LogP4.19
Rot. Bonds4

About (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine

(2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine (PubChem CID 11659767) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine
PubChem CID11659767
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name(2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine
SMILESClc1cccc(CN[C@H]2CCN[C@H]2c2ccccc2)c1Cl
InChIInChI=1S/C17H18Cl2N2/c18-14-8-4-7-13(16(14)19)11-21-15-9-10-20-17(15)12-5-2-1-3-6-12/h1-8,15,17,20-21H,9-11H2/t15-,17-/m0/s1
InChIKeyAMNWGSGTKLDTSY-RDJZCZTQSA-N
XLogP4.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine?
The IUPAC name of (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine (CID 11659767) is (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine?
The canonical SMILES for (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine is Clc1cccc(CN[C@H]2CCN[C@H]2c2ccccc2)c1Cl.
What is the InChIKey of (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine?
The InChIKey is AMNWGSGTKLDTSY-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-14-8-4-7-13(16(14)19)11-21-15-9-10-20-17(15)12-5-2-1-3-6-12/h1-8,15,17,20-21H,9-11H2/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine?
(2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine has a molecular weight of 321.25 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine is sourced from PubChem (CID 11659767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).