2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol

C13H17Cl2NO — CID 82979885

IUPAC2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol
SMILESCC1(C)CCCN1Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H17Cl2NO/c1-13(2)4-3-5-16(13)8-9-6-10(14)7-11(15)12(9)17/h6-7,17H,3-5,8H2,1-2H3
InChIKeyKEPKOWICLYKAJD-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.07
Rot. Bonds2

About 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol

2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol (PubChem CID 82979885) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol
PubChem CID82979885
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol
SMILESCC1(C)CCCN1Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H17Cl2NO/c1-13(2)4-3-5-16(13)8-9-6-10(14)7-11(15)12(9)17/h6-7,17H,3-5,8H2,1-2H3
InChIKeyKEPKOWICLYKAJD-UHFFFAOYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol (CID 82979885) is 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol is CC1(C)CCCN1Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is KEPKOWICLYKAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-13(2)4-3-5-16(13)8-9-6-10(14)7-11(15)12(9)17/h6-7,17H,3-5,8H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol?
2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 274.19 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 82979885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).