[(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol

C18H21NO — CID 853009

IUPAC[(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol
SMILESCN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m0/s1
InChIKeyXIJAGFLYYNXCAB-KRWDZBQOSA-N
MW267.37 g/mol
LogP3.02
Rot. Bonds3

About [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol

[(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol (PubChem CID 853009) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol
PubChem CID853009
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol
SMILESCN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m0/s1
InChIKeyXIJAGFLYYNXCAB-KRWDZBQOSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol (CID 853009) is [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol is CN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol?
The InChIKey is XIJAGFLYYNXCAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol?
[(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol has a molecular weight of 267.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]-diphenylmethanol is sourced from PubChem (CID 853009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).