2-(5-aminopentoxy)-4,5-dichlorophenol

C11H15Cl2NO2 — CID 101415763

IUPAC2-(5-aminopentoxy)-4,5-dichlorophenol
SMILESNCCCCCOc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C11H15Cl2NO2/c12-8-6-10(15)11(7-9(8)13)16-5-3-1-2-4-14/h6-7,15H,1-5,14H2
InChIKeyGKXHXJGKPGKDKS-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.21
Rot. Bonds6

About 2-(5-aminopentoxy)-4,5-dichlorophenol

2-(5-aminopentoxy)-4,5-dichlorophenol (PubChem CID 101415763) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-(5-aminopentoxy)-4,5-dichlorophenol.

Molecular Properties

Compound Name2-(5-aminopentoxy)-4,5-dichlorophenol
PubChem CID101415763
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-(5-aminopentoxy)-4,5-dichlorophenol
SMILESNCCCCCOc1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C11H15Cl2NO2/c12-8-6-10(15)11(7-9(8)13)16-5-3-1-2-4-14/h6-7,15H,1-5,14H2
InChIKeyGKXHXJGKPGKDKS-UHFFFAOYSA-N
XLogP3.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine
CID 107656497
4-chloro-2-hexadecoxyphenol
CID 19014164
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
3-(4-bromo-2,5-dichlorophenoxy)propan-1-amine
CID 107656499
1,2,4-trichloro-5-undecoxybenzene
CID 518118
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
4-(5-aminopentoxy)-6-chlorochromen-2-one
CID 11173576
2-(2-aminoethoxy)-4,6-dichlorophenol
CID 130154996
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopentoxy)-4,5-dichlorophenol?
The IUPAC name of 2-(5-aminopentoxy)-4,5-dichlorophenol (CID 101415763) is 2-(5-aminopentoxy)-4,5-dichlorophenol.
What is the SMILES notation for 2-(5-aminopentoxy)-4,5-dichlorophenol?
The canonical SMILES for 2-(5-aminopentoxy)-4,5-dichlorophenol is NCCCCCOc1cc(Cl)c(Cl)cc1O.
What is the InChIKey of 2-(5-aminopentoxy)-4,5-dichlorophenol?
The InChIKey is GKXHXJGKPGKDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c12-8-6-10(15)11(7-9(8)13)16-5-3-1-2-4-14/h6-7,15H,1-5,14H2.
What are the key properties of 2-(5-aminopentoxy)-4,5-dichlorophenol?
2-(5-aminopentoxy)-4,5-dichlorophenol has a molecular weight of 264.15 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentoxy)-4,5-dichlorophenol is sourced from PubChem (CID 101415763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).