4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol

C14H12Cl2FNO — CID 43790398

IUPAC4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-8(18-9-2-4-10(19)5-3-9)11-6-14(17)13(16)7-12(11)15/h2-8,18-19H,1H3
InChIKeyAYVCTUMKELWPJK-UHFFFAOYSA-N
MW300.16 g/mol
LogP5.01
Rot. Bonds3

About 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol

4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol (PubChem CID 43790398) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol.

Molecular Properties

Compound Name4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol
PubChem CID43790398
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2FNO/c1-8(18-9-2-4-10(19)5-3-9)11-6-14(17)13(16)7-12(11)15/h2-8,18-19H,1H3
InChIKeyAYVCTUMKELWPJK-UHFFFAOYSA-N
XLogP5.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.16
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzoic acid
CID 43774350
4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
2-chloro-4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzonitrile
CID 43775118
2-[1-(4-chloro-3-fluoroanilino)ethyl]benzene-1,4-diol
CID 43721515
3-bromo-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]aniline
CID 43762868
4-[1-(2,5-difluorophenyl)ethylamino]phenol
CID 43742782
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43768672
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
CID 43765572
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(methoxymethyl)aniline
CID 43778869
4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
CID 82964843
2-[1-(4-chloroanilino)ethyl]benzene-1,4-diol
CID 43194306

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol?
The IUPAC name of 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol (CID 43790398) is 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol.
What is the SMILES notation for 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol?
The canonical SMILES for 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol is CC(Nc1ccc(O)cc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol?
The InChIKey is AYVCTUMKELWPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-8(18-9-2-4-10(19)5-3-9)11-6-14(17)13(16)7-12(11)15/h2-8,18-19H,1H3.
What are the key properties of 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol?
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol has a molecular weight of 300.16 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol is sourced from PubChem (CID 43790398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).