2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol

C15H22FNO — CID 111565203

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCC(C)(C)C1
InChIInChI=1S/C15H22FNO/c1-11-8-12(16)4-5-13(11)14(18)9-17-7-6-15(2,3)10-17/h4-5,8,14,18H,6-7,9-10H2,1-3H3
InChIKeyYUXOOIDLWMFMIR-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.90
Rot. Bonds3

About 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol

2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 111565203) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID111565203
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCC(C)(C)C1
InChIInChI=1S/C15H22FNO/c1-11-8-12(16)4-5-13(11)14(18)9-17-7-6-15(2,3)10-17/h4-5,8,14,18H,6-7,9-10H2,1-3H3
InChIKeyYUXOOIDLWMFMIR-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038082
1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol
CID 167950146
1-(3,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038375
N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide
CID 111564930
1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
CID 111565154
1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111564899
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
CID 111564989
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82217044
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 111565070
1-(4-fluoro-2-methylphenyl)-2-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 154757470

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol (CID 111565203) is 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(O)CN1CCC(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is YUXOOIDLWMFMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-8-12(16)4-5-13(11)14(18)9-17-7-6-15(2,3)10-17/h4-5,8,14,18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 251.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 111565203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).