1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol

C15H22FNO — CID 79069250

IUPAC1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccccc1F)N1CCCC1
InChIInChI=1S/C15H22FNO/c1-3-15(2,17-10-6-7-11-17)14(18)12-8-4-5-9-13(12)16/h4-5,8-9,14,18H,3,6-7,10-11H2,1-2H3
InChIKeyCOQUWOYBJSUTCG-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.12
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol

1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 79069250) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID79069250
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)c1ccccc1F)N1CCCC1
InChIInChI=1S/C15H22FNO/c1-3-15(2,17-10-6-7-11-17)14(18)12-8-4-5-9-13(12)16/h4-5,8-9,14,18H,3,6-7,10-11H2,1-2H3
InChIKeyCOQUWOYBJSUTCG-UHFFFAOYSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 106645115
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79067738
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79595416
1-(1-benzofuran-2-yl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 114726874
2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol
CID 79137948
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79704324
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 82791751

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (CID 79069250) is 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol is CCC(C)(C(O)c1ccccc1F)N1CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is COQUWOYBJSUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-15(2,17-10-6-7-11-17)14(18)12-8-4-5-9-13(12)16/h4-5,8-9,14,18H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 79069250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).