2-(2,4-dimethylphenyl)pyrrolidin-3-ol

C12H17NO — CID 82403233

IUPAC2-(2,4-dimethylphenyl)pyrrolidin-3-ol
SMILESCc1ccc(C2NCCC2O)c(C)c1
InChIInChI=1S/C12H17NO/c1-8-3-4-10(9(2)7-8)12-11(14)5-6-13-12/h3-4,7,11-14H,5-6H2,1-2H3
InChIKeyIISUGDSIKWNELW-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.70
Rot. Bonds1

About 2-(2,4-dimethylphenyl)pyrrolidin-3-ol

2-(2,4-dimethylphenyl)pyrrolidin-3-ol (PubChem CID 82403233) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)pyrrolidin-3-ol
PubChem CID82403233
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2,4-dimethylphenyl)pyrrolidin-3-ol
SMILESCc1ccc(C2NCCC2O)c(C)c1
InChIInChI=1S/C12H17NO/c1-8-3-4-10(9(2)7-8)12-11(14)5-6-13-12/h3-4,7,11-14H,5-6H2,1-2H3
InChIKeyIISUGDSIKWNELW-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 82392927
2-(2-methylphenyl)piperidin-3-ol
CID 82403237
2-(2,4-dimethylphenyl)-N-methylpiperidin-4-amine
CID 117000343
3-amino-4-(2,4-dimethylphenyl)azetidin-2-one
CID 82403930
(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314
2-(3-methylthiophen-2-yl)pyrrolidin-3-ol
CID 112709532
2-(3-fluoro-5-methylphenyl)pyrrolidin-3-ol
CID 177146546
3-(2,4-dimethylphenyl)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 66227874
3-(2,4-dimethylphenyl)piperidine
CID 10535662
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638
(2R)-2-(2-fluoro-5-methylphenyl)azetidine;hydrochloride
CID 171197239
(2R)-2-(4-chloro-2-methylphenyl)azetidine
CID 130665012

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)pyrrolidin-3-ol?
The IUPAC name of 2-(2,4-dimethylphenyl)pyrrolidin-3-ol (CID 82403233) is 2-(2,4-dimethylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(2,4-dimethylphenyl)pyrrolidin-3-ol?
The canonical SMILES for 2-(2,4-dimethylphenyl)pyrrolidin-3-ol is Cc1ccc(C2NCCC2O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)pyrrolidin-3-ol?
The InChIKey is IISUGDSIKWNELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-3-4-10(9(2)7-8)12-11(14)5-6-13-12/h3-4,7,11-14H,5-6H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)pyrrolidin-3-ol?
2-(2,4-dimethylphenyl)pyrrolidin-3-ol has a molecular weight of 191.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 82403233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).