1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol

C13H19NO — CID 24904964

IUPAC1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(C)c(CN2CCC(O)C2)c1
InChIInChI=1S/C13H19NO/c1-10-3-4-11(2)12(7-10)8-14-6-5-13(15)9-14/h3-4,7,13,15H,5-6,8-9H2,1-2H3
InChIKeyGGOPGTUMPPQSLE-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.87
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol

1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 24904964) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
PubChem CID24904964
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(C)c(CN2CCC(O)C2)c1
InChIInChI=1S/C13H19NO/c1-10-3-4-11(2)12(7-10)8-14-6-5-13(15)9-14/h3-4,7,13,15H,5-6,8-9H2,1-2H3
InChIKeyGGOPGTUMPPQSLE-UHFFFAOYSA-N
XLogP1.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103882994
3-(2-chloroethyl)-1-[(2,5-dimethylphenyl)methyl]pyrrolidine
CID 114800550
3-(2-bromoethyl)-1-[(2,5-dimethylphenyl)methyl]pyrrolidine
CID 114800338
(3S)-1-[(2-hydroxy-4,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 103882967
(3R)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-3-ol
CID 99850417
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2057088
3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64834227
1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 115532407
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64858807
4-[(3-hydroxypyrrolidin-1-yl)methyl]-3-methylbenzenecarbothioamide
CID 114481915

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol (CID 24904964) is 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol is Cc1ccc(C)c(CN2CCC(O)C2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is GGOPGTUMPPQSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-3-4-11(2)12(7-10)8-14-6-5-13(15)9-14/h3-4,7,13,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol?
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 24904964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).