6-amino-3-butyl-2,4-dichlorophenol

C10H13Cl2NO — CID 19391854

IUPAC6-amino-3-butyl-2,4-dichlorophenol
SMILESCCCCc1c(Cl)cc(N)c(O)c1Cl
InChIInChI=1S/C10H13Cl2NO/c1-2-3-4-6-7(11)5-8(13)10(14)9(6)12/h5,14H,2-4,13H2,1H3
InChIKeyPLPKAWJGWYLMOE-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.62
Rot. Bonds3

About 6-amino-3-butyl-2,4-dichlorophenol

6-amino-3-butyl-2,4-dichlorophenol (PubChem CID 19391854) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 6-amino-3-butyl-2,4-dichlorophenol.

Molecular Properties

Compound Name6-amino-3-butyl-2,4-dichlorophenol
PubChem CID19391854
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name6-amino-3-butyl-2,4-dichlorophenol
SMILESCCCCc1c(Cl)cc(N)c(O)c1Cl
InChIInChI=1S/C10H13Cl2NO/c1-2-3-4-6-7(11)5-8(13)10(14)9(6)12/h5,14H,2-4,13H2,1H3
InChIKeyPLPKAWJGWYLMOE-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-butyl-2,4-dichlorophenol?
The IUPAC name of 6-amino-3-butyl-2,4-dichlorophenol (CID 19391854) is 6-amino-3-butyl-2,4-dichlorophenol.
What is the SMILES notation for 6-amino-3-butyl-2,4-dichlorophenol?
The canonical SMILES for 6-amino-3-butyl-2,4-dichlorophenol is CCCCc1c(Cl)cc(N)c(O)c1Cl.
What is the InChIKey of 6-amino-3-butyl-2,4-dichlorophenol?
The InChIKey is PLPKAWJGWYLMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-2-3-4-6-7(11)5-8(13)10(14)9(6)12/h5,14H,2-4,13H2,1H3.
What are the key properties of 6-amino-3-butyl-2,4-dichlorophenol?
6-amino-3-butyl-2,4-dichlorophenol has a molecular weight of 234.13 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-butyl-2,4-dichlorophenol is sourced from PubChem (CID 19391854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).