[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol

C32H29NO — CID 10748480

IUPAC[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C32H29NO/c34-32(29-18-16-25-11-4-6-13-27(25)21-29,30-19-17-26-12-5-7-14-28(26)22-30)31-15-8-20-33(31)23-24-9-2-1-3-10-24/h1-7,9-14,16-19,21-22,31,34H,8,15,20,23H2/t31-/m0/s1
InChIKeyVETBZPARRLGCKW-HKBQPEDESA-N
MW443.59 g/mol
LogP6.89
Rot. Bonds5

About [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol

[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol (PubChem CID 10748480) has the molecular formula C32H29NO and a molecular weight of 443.59 g/mol. Its IUPAC name is [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol.

Molecular Properties

Compound Name[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol
PubChem CID10748480
Molecular FormulaC32H29NO
Molecular Weight443.59 g/mol
Exact Mass443.22
IUPAC Name[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C32H29NO/c34-32(29-18-16-25-11-4-6-13-27(25)21-29,30-19-17-26-12-5-7-14-28(26)22-30)31-15-8-20-33(31)23-24-9-2-1-3-10-24/h1-7,9-14,16-19,21-22,31,34H,8,15,20,23H2/t31-/m0/s1
InChIKeyVETBZPARRLGCKW-HKBQPEDESA-N
XLogP6.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-Di(naphthalen-2-yl)(pyrrolidin-2-yl)methanol
CID 2733810
(R)-Di-2-naphthylprolinol
CID 7020307
1-Benzyl-3-(naphthalen-1-yl)pyrrolidin-3-ol
CID 2894128
1-Benzyl-3-(2-naphthyl)-3-pyrrolidinol hydrochloride
CID 2894287
2-[Benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 59570700
4-[Benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol
CID 59570707
(1-Benzylpyrrolidin-2-yl)diphenylmethanol
CID 204392
(S)-(1-Benzylpyrrolidin-2-yl)diphenylmethanol
CID 1260655
3-(Benzyl(isopropyl)amino)-1-(naphthalen-2-yl)propan-1-ol
CID 59570713
3-(Dibenzylamino)-1-naphthalen-2-ylpropan-1-ol
CID 59570755
3-Pyrrolidinol, 1,2-dimethyl-3-(2-naphthalenyl)-
CID 10243415
(2R,3S)-1,2-dimethyl-3-naphthalen-2-ylpyrrolidin-3-ol
CID 23249803

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol?
The IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol (CID 10748480) is [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol.
What is the SMILES notation for [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol?
The canonical SMILES for [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol is OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol?
The InChIKey is VETBZPARRLGCKW-HKBQPEDESA-N. The full InChI is InChI=1S/C32H29NO/c34-32(29-18-16-25-11-4-6-13-27(25)21-29,30-19-17-26-12-5-7-14-28(26)22-30)31-15-8-20-33(31)23-24-9-2-1-3-10-24/h1-7,9-14,16-19,21-22,31,34H,8,15,20,23H2/t31-/m0/s1.
What are the key properties of [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol?
[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol has a molecular weight of 443.59 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-2-ylmethanol is sourced from PubChem (CID 10748480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).