2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile

C21H24N2 — CID 77224705

IUPAC2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile
SMILESCc1ccccc1Cc1ccc(N2CC(C)CC2CC#N)cc1
InChIInChI=1S/C21H24N2/c1-16-13-21(11-12-22)23(15-16)20-9-7-18(8-10-20)14-19-6-4-3-5-17(19)2/h3-10,16,21H,11,13-15H2,1-2H3
InChIKeyHCSPZBZZZVYQBR-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.71
Rot. Bonds4

About 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile

2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile (PubChem CID 77224705) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile
PubChem CID77224705
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile
SMILESCc1ccccc1Cc1ccc(N2CC(C)CC2CC#N)cc1
InChIInChI=1S/C21H24N2/c1-16-13-21(11-12-22)23(15-16)20-9-7-18(8-10-20)14-19-6-4-3-5-17(19)2/h3-10,16,21H,11,13-15H2,1-2H3
InChIKeyHCSPZBZZZVYQBR-UHFFFAOYSA-N
XLogP4.71
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile?
The IUPAC name of 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile (CID 77224705) is 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile is Cc1ccccc1Cc1ccc(N2CC(C)CC2CC#N)cc1.
What is the InChIKey of 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile?
The InChIKey is HCSPZBZZZVYQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-16-13-21(11-12-22)23(15-16)20-9-7-18(8-10-20)14-19-6-4-3-5-17(19)2/h3-10,16,21H,11,13-15H2,1-2H3.
What are the key properties of 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile?
2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile has a molecular weight of 304.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-[4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]acetonitrile is sourced from PubChem (CID 77224705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).