2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol

C14H21NO — CID 116860294

IUPAC2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
SMILESCc1ccc(C(CO)N2CCCC2)cc1C
InChIInChI=1S/C14H21NO/c1-11-5-6-13(9-12(11)2)14(10-16)15-7-3-4-8-15/h5-6,9,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyOOUQLJIYVNRMDE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.43
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol

2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 116860294) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID116860294
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
SMILESCc1ccc(C(CO)N2CCCC2)cc1C
InChIInChI=1S/C14H21NO/c1-11-5-6-13(9-12(11)2)14(10-16)15-7-3-4-8-15/h5-6,9,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyOOUQLJIYVNRMDE-UHFFFAOYSA-N
XLogP2.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
CID 83922970
2-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 116860097
2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethanol
CID 82086606
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
2-(4-ethylphenyl)-2-piperidin-1-ylethanol
CID 54775819
2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol
CID 116860112
(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174363
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylethanol
CID 82091216
2-(4-phenylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860322
2-[4-(2-methylpropyl)phenyl]-2-piperidin-1-ylethanol
CID 116860102
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol (CID 116860294) is 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol is Cc1ccc(C(CO)N2CCCC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is OOUQLJIYVNRMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-6-13(9-12(11)2)14(10-16)15-7-3-4-8-15/h5-6,9,14,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol?
2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 219.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 116860294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).