[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol

C13H19NO — CID 2845227

IUPAC[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1cccc(CN2CCCC2CO)c1
InChIInChI=1S/C13H19NO/c1-11-4-2-5-12(8-11)9-14-7-3-6-13(14)10-15/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3
InChIKeyMAKIBNRGJCXOCW-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.95
Rot. Bonds3

About [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol

[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 2845227) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID2845227
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1cccc(CN2CCCC2CO)c1
InChIInChI=1S/C13H19NO/c1-11-4-2-5-12(8-11)9-14-7-3-6-13(14)10-15/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3
InChIKeyMAKIBNRGJCXOCW-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol (CID 2845227) is [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol is Cc1cccc(CN2CCCC2CO)c1.
What is the InChIKey of [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is MAKIBNRGJCXOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-4-2-5-12(8-11)9-14-7-3-6-13(14)10-15/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3.
What are the key properties of [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 2845227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).