(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
CID 11499795
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
(2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine
CID 69249184
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 57158531
(2S,3S)-N-[(5-chloro-2-ethoxy-3-pyridinyl)methyl]-2-phenylpyrrolidin-3-amine;dihydrochloride
CID 143143382

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).