2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol

C14H19Cl2NO — CID 79861227

IUPAC2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
SMILESCC1(C)CCCC1NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H19Cl2NO/c1-14(2)5-3-4-12(14)17-8-9-6-10(15)7-11(16)13(9)18/h6-7,12,17-18H,3-5,8H2,1-2H3
InChIKeyWXJFSYMWYQIMRT-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.37
Rot. Bonds3

About 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol

2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol (PubChem CID 79861227) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
PubChem CID79861227
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
SMILESCC1(C)CCCC1NCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H19Cl2NO/c1-14(2)5-3-4-12(14)17-8-9-6-10(15)7-11(16)13(9)18/h6-7,12,17-18H,3-5,8H2,1-2H3
InChIKeyWXJFSYMWYQIMRT-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol (CID 79861227) is 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol is CC1(C)CCCC1NCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol?
The InChIKey is WXJFSYMWYQIMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-14(2)5-3-4-12(14)17-8-9-6-10(15)7-11(16)13(9)18/h6-7,12,17-18H,3-5,8H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol?
2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol has a molecular weight of 288.22 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol is sourced from PubChem (CID 79861227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).