3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol

C13H19NO — CID 62977085

IUPAC3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol
SMILESCCc1ccc(C2(O)CCN(C)C2)cc1
InChIInChI=1S/C13H19NO/c1-3-11-4-6-12(7-5-11)13(15)8-9-14(2)10-13/h4-7,15H,3,8-10H2,1-2H3
InChIKeyDULORUXBBFTCTE-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.77
Rot. Bonds2

About 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol

3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol (PubChem CID 62977085) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol
PubChem CID62977085
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol
SMILESCCc1ccc(C2(O)CCN(C)C2)cc1
InChIInChI=1S/C13H19NO/c1-3-11-4-6-12(7-5-11)13(15)8-9-14(2)10-13/h4-7,15H,3,8-10H2,1-2H3
InChIKeyDULORUXBBFTCTE-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol (CID 62977085) is 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol is CCc1ccc(C2(O)CCN(C)C2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol?
The InChIKey is DULORUXBBFTCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11-4-6-12(7-5-11)13(15)8-9-14(2)10-13/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol?
3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 62977085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).