4-chloro-2-(ethylamino)-3,5-dimethylphenol

C10H14ClNO — CID 82265403

IUPAC4-chloro-2-(ethylamino)-3,5-dimethylphenol
SMILESCCNc1c(O)cc(C)c(Cl)c1C
InChIInChI=1S/C10H14ClNO/c1-4-12-10-7(3)9(11)6(2)5-8(10)13/h5,12-13H,4H2,1-3H3
InChIKeyNTMGBKGQYFSERJ-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.09
Rot. Bonds2

About 4-chloro-2-(ethylamino)-3,5-dimethylphenol

4-chloro-2-(ethylamino)-3,5-dimethylphenol (PubChem CID 82265403) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-chloro-2-(ethylamino)-3,5-dimethylphenol.

Molecular Properties

Compound Name4-chloro-2-(ethylamino)-3,5-dimethylphenol
PubChem CID82265403
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name4-chloro-2-(ethylamino)-3,5-dimethylphenol
SMILESCCNc1c(O)cc(C)c(Cl)c1C
InChIInChI=1S/C10H14ClNO/c1-4-12-10-7(3)9(11)6(2)5-8(10)13/h5,12-13H,4H2,1-3H3
InChIKeyNTMGBKGQYFSERJ-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylamino)-3,5-dimethylphenol?
The IUPAC name of 4-chloro-2-(ethylamino)-3,5-dimethylphenol (CID 82265403) is 4-chloro-2-(ethylamino)-3,5-dimethylphenol.
What is the SMILES notation for 4-chloro-2-(ethylamino)-3,5-dimethylphenol?
The canonical SMILES for 4-chloro-2-(ethylamino)-3,5-dimethylphenol is CCNc1c(O)cc(C)c(Cl)c1C.
What is the InChIKey of 4-chloro-2-(ethylamino)-3,5-dimethylphenol?
The InChIKey is NTMGBKGQYFSERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-4-12-10-7(3)9(11)6(2)5-8(10)13/h5,12-13H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(ethylamino)-3,5-dimethylphenol?
4-chloro-2-(ethylamino)-3,5-dimethylphenol has a molecular weight of 199.68 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylamino)-3,5-dimethylphenol is sourced from PubChem (CID 82265403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).