(2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine

C18H21N — CID 133084127

IUPAC(2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine
SMILESCc1cccc(C(c2ccccc2)[C@H]2CCCN2)c1
InChIInChI=1S/C18H21N/c1-14-7-5-10-16(13-14)18(17-11-6-12-19-17)15-8-3-2-4-9-15/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18?/m1/s1
InChIKeyBNKCKJVWLJSDQN-QNSVNVJESA-N
MW251.37 g/mol
LogP3.88
Rot. Bonds3

About (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine

(2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine (PubChem CID 133084127) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine
PubChem CID133084127
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine
SMILESCc1cccc(C(c2ccccc2)[C@H]2CCCN2)c1
InChIInChI=1S/C18H21N/c1-14-7-5-10-16(13-14)18(17-11-6-12-19-17)15-8-3-2-4-9-15/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18?/m1/s1
InChIKeyBNKCKJVWLJSDQN-QNSVNVJESA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine?
The IUPAC name of (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine (CID 133084127) is (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine is Cc1cccc(C(c2ccccc2)[C@H]2CCCN2)c1.
What is the InChIKey of (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine?
The InChIKey is BNKCKJVWLJSDQN-QNSVNVJESA-N. The full InChI is InChI=1S/C18H21N/c1-14-7-5-10-16(13-14)18(17-11-6-12-19-17)15-8-3-2-4-9-15/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18?/m1/s1.
What are the key properties of (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine?
(2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-(3-methylphenyl)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 133084127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).