1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol

C15H22ClNO — CID 83220393

IUPAC1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol
SMILESCCC1CCC(C)N1c1ccc(C(C)O)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-4-12-6-5-10(2)17(12)13-7-8-14(11(3)18)15(16)9-13/h7-12,18H,4-6H2,1-3H3
InChIKeyOVFHSLGGMAHPIV-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.16
Rot. Bonds3

About 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol

1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 83220393) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID83220393
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol
SMILESCCC1CCC(C)N1c1ccc(C(C)O)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-4-12-6-5-10(2)17(12)13-7-8-14(11(3)18)15(16)9-13/h7-12,18H,4-6H2,1-3H3
InChIKeyOVFHSLGGMAHPIV-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol (CID 83220393) is 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol is CCC1CCC(C)N1c1ccc(C(C)O)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is OVFHSLGGMAHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-12-6-5-10(2)17(12)13-7-8-14(11(3)18)15(16)9-13/h7-12,18H,4-6H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol?
1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 267.80 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 83220393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).