1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol

C13H19NO — CID 105457980

IUPAC1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
SMILESCc1ccccc1C(C)(O)C1CCNC1
InChIInChI=1S/C13H19NO/c1-10-5-3-4-6-12(10)13(2,15)11-7-8-14-9-11/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeyCGQMFGUURZLPCD-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.81
Rot. Bonds2

About 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol

1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol (PubChem CID 105457980) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
PubChem CID105457980
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
SMILESCc1ccccc1C(C)(O)C1CCNC1
InChIInChI=1S/C13H19NO/c1-10-5-3-4-6-12(10)13(2,15)11-7-8-14-9-11/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeyCGQMFGUURZLPCD-UHFFFAOYSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290402
2-(1-hydroxy-1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115031453
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714
(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol
CID 94483384
pyrrolidin-3-ol;1,2-xylene
CID 142175106
3-[difluoro-(2-methylphenyl)methyl]azetidine
CID 105450558
1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol?
The IUPAC name of 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol (CID 105457980) is 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol.
What is the SMILES notation for 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol?
The canonical SMILES for 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol is Cc1ccccc1C(C)(O)C1CCNC1.
What is the InChIKey of 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol?
The InChIKey is CGQMFGUURZLPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-3-4-6-12(10)13(2,15)11-7-8-14-9-11/h3-6,11,14-15H,7-9H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol?
1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol has a molecular weight of 205.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol is sourced from PubChem (CID 105457980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).