1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol

C15H21Cl2NO — CID 79056291

IUPAC1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cc(Cl)ccc1Cl)N1CCCC1
InChIInChI=1S/C15H21Cl2NO/c1-15(2,18-7-3-4-8-18)14(19)10-11-9-12(16)5-6-13(11)17/h5-6,9,14,19H,3-4,7-8,10H2,1-2H3
InChIKeyJOKHNBZOGRBOFT-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.77
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol

1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol (PubChem CID 79056291) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
PubChem CID79056291
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cc(Cl)ccc1Cl)N1CCCC1
InChIInChI=1S/C15H21Cl2NO/c1-15(2,18-7-3-4-8-18)14(19)10-11-9-12(16)5-6-13(11)17/h5-6,9,14,19H,3-4,7-8,10H2,1-2H3
InChIKeyJOKHNBZOGRBOFT-UHFFFAOYSA-N
XLogP3.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056042
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 103039633
3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636
1-(2-chloro-5-fluorophenyl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 102619055
1-(2,5-dichlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79055718
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
CID 107308188
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)-2-methylpropan-1-ol
CID 79051073
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol (CID 79056291) is 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol is CC(C)(C(O)Cc1cc(Cl)ccc1Cl)N1CCCC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is JOKHNBZOGRBOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-15(2,18-7-3-4-8-18)14(19)10-11-9-12(16)5-6-13(11)17/h5-6,9,14,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol?
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol has a molecular weight of 302.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 79056291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).