2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol

C10H14ClFN2O2 — CID 66079554

IUPAC2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1cc(Cl)c(F)cc1N(CCO)CCO
InChIInChI=1S/C10H14ClFN2O2/c11-7-5-9(13)10(6-8(7)12)14(1-3-15)2-4-16/h5-6,15-16H,1-4,13H2
InChIKeyKGFFANUTPJLTRF-UHFFFAOYSA-N
MW248.68 g/mol
LogP0.85
Rot. Bonds5

About 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol

2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 66079554) has the molecular formula C10H14ClFN2O2 and a molecular weight of 248.68 g/mol. Its IUPAC name is 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID66079554
Molecular FormulaC10H14ClFN2O2
Molecular Weight248.68 g/mol
Exact Mass248.07
IUPAC Name2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol
SMILESNc1cc(Cl)c(F)cc1N(CCO)CCO
InChIInChI=1S/C10H14ClFN2O2/c11-7-5-9(13)10(6-8(7)12)14(1-3-15)2-4-16/h5-6,15-16H,1-4,13H2
InChIKeyKGFFANUTPJLTRF-UHFFFAOYSA-N
XLogP0.85
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine
CID 66077466
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
4-chloro-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-(2-methylpropyl)benzene-1,2-diamine
CID 66077630
2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
CID 66079546
2-[2-amino-5-ethoxy-4-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 63593222
2-(2-amino-N-butyl-4-fluoro-5-methylanilino)ethanol
CID 103590086
4-chloro-5-fluoro-1-N-methyl-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 66079363
4-chloro-5-fluoro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 114088984
1-N-butan-2-yl-4-chloro-1-N-ethyl-5-fluorobenzene-1,2-diamine
CID 66078180
2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol
CID 115554676
4-chloro-5-fluoro-1-N-methyl-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 66078567
2-(2-amino-N-butyl-4-fluoro-5-propoxyanilino)ethanol
CID 63592250

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol (CID 66079554) is 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol is Nc1cc(Cl)c(F)cc1N(CCO)CCO.
What is the InChIKey of 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is KGFFANUTPJLTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2/c11-7-5-9(13)10(6-8(7)12)14(1-3-15)2-4-16/h5-6,15-16H,1-4,13H2.
What are the key properties of 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol?
2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 248.68 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-chloro-5-fluoro-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 66079554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).