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

C16H16Cl2N2 — CID 23647095

IUPAC(3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine
SMILESN[C@H]1CN(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-11-6-7-13(15(18)8-11)14-9-20(10-16(14)19)12-4-2-1-3-5-12/h1-8,14,16H,9-10,19H2/t14-,16+/m1/s1
InChIKeyKQIXDQQTPCBRIX-ZBFHGGJFSA-N
MW307.22 g/mol
LogP3.92
Rot. Bonds2

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

(3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine (PubChem CID 23647095) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is (3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine
PubChem CID23647095
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name(3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine
SMILESN[C@H]1CN(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-11-6-7-13(15(18)8-11)14-9-20(10-16(14)19)12-4-2-1-3-5-12/h1-8,14,16H,9-10,19H2/t14-,16+/m1/s1
InChIKeyKQIXDQQTPCBRIX-ZBFHGGJFSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine (CID 23647095) is (3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine is N[C@H]1CN(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine?
The InChIKey is KQIXDQQTPCBRIX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c17-11-6-7-13(15(18)8-11)14-9-20(10-16(14)19)12-4-2-1-3-5-12/h1-8,14,16H,9-10,19H2/t14-,16+/m1/s1.
What are the key properties of (3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine?
(3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine has a molecular weight of 307.22 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2,4-dichlorophenyl)-1-phenylpyrrolidin-3-amine is sourced from PubChem (CID 23647095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).