2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol

C14H20ClNO2 — CID 107678106

IUPAC2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
SMILESCCOC1CC(Nc2ccc(O)c(Cl)c2)C1(C)C
InChIInChI=1S/C14H20ClNO2/c1-4-18-13-8-12(14(13,2)3)16-9-5-6-11(17)10(15)7-9/h5-7,12-13,16-17H,4,8H2,1-3H3
InChIKeyHODNXZAWRHCYTQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.66
Rot. Bonds4

About 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol

2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol (PubChem CID 107678106) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
PubChem CID107678106
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
SMILESCCOC1CC(Nc2ccc(O)c(Cl)c2)C1(C)C
InChIInChI=1S/C14H20ClNO2/c1-4-18-13-8-12(14(13,2)3)16-9-5-6-11(17)10(15)7-9/h5-7,12-13,16-17H,4,8H2,1-3H3
InChIKeyHODNXZAWRHCYTQ-UHFFFAOYSA-N
XLogP3.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol?
The IUPAC name of 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol (CID 107678106) is 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol.
What is the SMILES notation for 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol?
The canonical SMILES for 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol is CCOC1CC(Nc2ccc(O)c(Cl)c2)C1(C)C.
What is the InChIKey of 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol?
The InChIKey is HODNXZAWRHCYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-18-13-8-12(14(13,2)3)16-9-5-6-11(17)10(15)7-9/h5-7,12-13,16-17H,4,8H2,1-3H3.
What are the key properties of 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol?
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol has a molecular weight of 269.77 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol is sourced from PubChem (CID 107678106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).