(2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine

C18H22N2 — CID 174743645

IUPAC(2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine
SMILESCN(c1ccc(Cc2ccccc2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C18H22N2/c1-20(18-8-5-13-19-18)17-11-9-16(10-12-17)14-15-6-3-2-4-7-15/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3/t18-/m1/s1
InChIKeyUXBOGRXCDOQVSA-GOSISDBHSA-N
MW266.39 g/mol
LogP3.42
Rot. Bonds4

About (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine

(2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine (PubChem CID 174743645) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine.

Molecular Properties

Compound Name(2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine
PubChem CID174743645
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine
SMILESCN(c1ccc(Cc2ccccc2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C18H22N2/c1-20(18-8-5-13-19-18)17-11-9-16(10-12-17)14-15-6-3-2-4-7-15/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3/t18-/m1/s1
InChIKeyUXBOGRXCDOQVSA-GOSISDBHSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
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 (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine?
The IUPAC name of (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine (CID 174743645) is (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine.
What is the SMILES notation for (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine?
The canonical SMILES for (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine is CN(c1ccc(Cc2ccccc2)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine?
The InChIKey is UXBOGRXCDOQVSA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2/c1-20(18-8-5-13-19-18)17-11-9-16(10-12-17)14-15-6-3-2-4-7-15/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine?
(2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-benzylphenyl)-N-methylpyrrolidin-2-amine is sourced from PubChem (CID 174743645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).