(2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine

C21H25N — CID 141193185

IUPAC(2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine
SMILESC[C@H]1CCCN1C[C@@H]1C[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N/c1-16-6-5-13-22(16)15-20-14-21(20)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12,16,20-21H,5-6,13-15H2,1H3/t16-,20-,21-/m0/s1
InChIKeyLJBRVSGQYJDQEB-NDXORKPFSA-N
MW291.44 g/mol
LogP4.94
Rot. Bonds4

About (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine

(2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 141193185) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine
PubChem CID141193185
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name(2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine
SMILESC[C@H]1CCCN1C[C@@H]1C[C@H]1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25N/c1-16-6-5-13-22(16)15-20-14-21(20)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12,16,20-21H,5-6,13-15H2,1H3/t16-,20-,21-/m0/s1
InChIKeyLJBRVSGQYJDQEB-NDXORKPFSA-N
XLogP4.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine (CID 141193185) is (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine is C[C@H]1CCCN1C[C@@H]1C[C@H]1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is LJBRVSGQYJDQEB-NDXORKPFSA-N. The full InChI is InChI=1S/C21H25N/c1-16-6-5-13-22(16)15-20-14-21(20)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12,16,20-21H,5-6,13-15H2,1H3/t16-,20-,21-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine?
(2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 291.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 141193185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).