(2-benzylpyrrolidin-2-yl)methanol

C12H17NO — CID 75525801

IUPAC(2-benzylpyrrolidin-2-yl)methanol
SMILESOCC1(Cc2ccccc2)CCCN1
InChIInChI=1S/C12H17NO/c14-10-12(7-4-8-13-12)9-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2
InChIKeyIOAYGUOBWFMGLB-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.34
Rot. Bonds3

About (2-benzylpyrrolidin-2-yl)methanol

(2-benzylpyrrolidin-2-yl)methanol (PubChem CID 75525801) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2-benzylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(2-benzylpyrrolidin-2-yl)methanol
PubChem CID75525801
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2-benzylpyrrolidin-2-yl)methanol
SMILESOCC1(Cc2ccccc2)CCCN1
InChIInChI=1S/C12H17NO/c14-10-12(7-4-8-13-12)9-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2
InChIKeyIOAYGUOBWFMGLB-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(tert-Butylamino)-1-phenylethanol
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Benzenepentanol, delta-amino-
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(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
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(2S,3S,4S,5S)-2-(hydroxymethyl)-5-(4-phenylbutyl)pyrrolidine-3,4-diol
CID 52939605
alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
CID 29545

Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrrolidin-2-yl)methanol?
The IUPAC name of (2-benzylpyrrolidin-2-yl)methanol (CID 75525801) is (2-benzylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (2-benzylpyrrolidin-2-yl)methanol?
The canonical SMILES for (2-benzylpyrrolidin-2-yl)methanol is OCC1(Cc2ccccc2)CCCN1.
What is the InChIKey of (2-benzylpyrrolidin-2-yl)methanol?
The InChIKey is IOAYGUOBWFMGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-10-12(7-4-8-13-12)9-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2.
What are the key properties of (2-benzylpyrrolidin-2-yl)methanol?
(2-benzylpyrrolidin-2-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 75525801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).