[(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol

C14H21NO — CID 72735618

IUPAC[(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CCN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C14H21NO/c1-12-4-6-13(7-5-12)8-10-15-9-2-3-14(15)11-16/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyFBQHOLZXXUYPSS-CQSZACIVSA-N
MW219.33 g/mol
LogP1.99
Rot. Bonds4

About [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 72735618) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol
PubChem CID72735618
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CCN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C14H21NO/c1-12-4-6-13(7-5-12)8-10-15-9-2-3-14(15)11-16/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyFBQHOLZXXUYPSS-CQSZACIVSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol (CID 72735618) is [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol is Cc1ccc(CCN2CCC[C@@H]2CO)cc1.
What is the InChIKey of [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is FBQHOLZXXUYPSS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-4-6-13(7-5-12)8-10-15-9-2-3-14(15)11-16/h4-7,14,16H,2-3,8-11H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 219.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 72735618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).