2-(2-aminoethyl)-6-chloro-3,4-difluorophenol

C8H8ClF2NO — CID 83883525

IUPAC2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
SMILESNCCc1c(O)c(Cl)cc(F)c1F
InChIInChI=1S/C8H8ClF2NO/c9-5-3-6(10)7(11)4(1-2-12)8(5)13/h3,13H,1-2,12H2
InChIKeyJXXUNARSVMOALD-UHFFFAOYSA-N
MW207.61 g/mol
LogP1.83
Rot. Bonds2

About 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol

2-(2-aminoethyl)-6-chloro-3,4-difluorophenol (PubChem CID 83883525) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
PubChem CID83883525
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
SMILESNCCc1c(O)c(Cl)cc(F)c1F
InChIInChI=1S/C8H8ClF2NO/c9-5-3-6(10)7(11)4(1-2-12)8(5)13/h3,13H,1-2,12H2
InChIKeyJXXUNARSVMOALD-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminobutyl)-6-chloro-3,4-difluorophenol
CID 117343886
2-(3-chloro-2,5,6-trifluorophenyl)ethanamine
CID 117299579
3-(5-chloro-2,3-difluoro-6-hydroxyphenyl)propanal
CID 117314985
2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
CID 117339512
3-(2-aminoethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117378174
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
CID 23071601
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
2-(3-chloro-4,5-difluorophenyl)ethanamine
CID 117282784
2-(4-aminobutyl)-4-chloro-6-fluoro-3-methylphenol
CID 117335570
3-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84797137
2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol
CID 84778833

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol?
The IUPAC name of 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol (CID 83883525) is 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol.
What is the SMILES notation for 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol?
The canonical SMILES for 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol is NCCc1c(O)c(Cl)cc(F)c1F.
What is the InChIKey of 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol?
The InChIKey is JXXUNARSVMOALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-5-3-6(10)7(11)4(1-2-12)8(5)13/h3,13H,1-2,12H2.
What are the key properties of 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol?
2-(2-aminoethyl)-6-chloro-3,4-difluorophenol has a molecular weight of 207.61 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-chloro-3,4-difluorophenol is sourced from PubChem (CID 83883525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).