(3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine

C23H30N2 — CID 71713204

IUPAC(3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine
SMILESc1ccc(CN2C[C@@H](NC3CCCCC3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2/c1-4-10-19(11-5-1)16-25-17-22(20-12-6-2-7-13-20)23(18-25)24-21-14-8-3-9-15-21/h1-2,4-7,10-13,21-24H,3,8-9,14-18H2/t22-,23+/m0/s1
InChIKeyMJNWUTWKGKTXFT-XZOQPEGZSA-N
MW334.51 g/mol
LogP4.58
Rot. Bonds5

About (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine

(3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine (PubChem CID 71713204) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine
PubChem CID71713204
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name(3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine
SMILESc1ccc(CN2C[C@@H](NC3CCCCC3)[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H30N2/c1-4-10-19(11-5-1)16-25-17-22(20-12-6-2-7-13-20)23(18-25)24-21-14-8-3-9-15-21/h1-2,4-7,10-13,21-24H,3,8-9,14-18H2/t22-,23+/m0/s1
InChIKeyMJNWUTWKGKTXFT-XZOQPEGZSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine (CID 71713204) is (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine is c1ccc(CN2C[C@@H](NC3CCCCC3)[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine?
The InChIKey is MJNWUTWKGKTXFT-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H30N2/c1-4-10-19(11-5-1)16-25-17-22(20-12-6-2-7-13-20)23(18-25)24-21-14-8-3-9-15-21/h1-2,4-7,10-13,21-24H,3,8-9,14-18H2/t22-,23+/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine has a molecular weight of 334.51 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-N-cyclohexyl-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 71713204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).