(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol

C13H19NO — CID 111434356

IUPAC(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
SMILESCc1ccc(CCN2CC[C@H](O)C2)cc1
InChIInChI=1S/C13H19NO/c1-11-2-4-12(5-3-11)6-8-14-9-7-13(15)10-14/h2-5,13,15H,6-10H2,1H3/t13-/m0/s1
InChIKeyRAZNJFBETPJURM-ZDUSSCGKSA-N
MW205.30 g/mol
LogP1.60
Rot. Bonds3

About (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol

(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol (PubChem CID 111434356) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
PubChem CID111434356
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
SMILESCc1ccc(CCN2CC[C@H](O)C2)cc1
InChIInChI=1S/C13H19NO/c1-11-2-4-12(5-3-11)6-8-14-9-7-13(15)10-14/h2-5,13,15H,6-10H2,1H3/t13-/m0/s1
InChIKeyRAZNJFBETPJURM-ZDUSSCGKSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-aminophenyl)ethyl]pyrrolidin-3-ol
CID 62941498
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol
CID 82475686
(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol
CID 59019831
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654449
3-[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 122101094
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
1-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 111561727
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]piperidin-4-ol
CID 71034592
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol (CID 111434356) is (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol is Cc1ccc(CCN2CC[C@H](O)C2)cc1.
What is the InChIKey of (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol?
The InChIKey is RAZNJFBETPJURM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-2-4-12(5-3-11)6-8-14-9-7-13(15)10-14/h2-5,13,15H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol?
(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 111434356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).