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

C14H13BrFNO — CID 82964843

IUPAC4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNO/c1-9(13-8-10(15)2-7-14(13)16)17-11-3-5-12(18)6-4-11/h2-9,17-18H,1H3
InChIKeyMFSLMAPWUXYZEJ-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.47
Rot. Bonds3

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

4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol (PubChem CID 82964843) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol.

Molecular Properties

Compound Name4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
PubChem CID82964843
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
SMILESCC(Nc1ccc(O)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNO/c1-9(13-8-10(15)2-7-14(13)16)17-11-3-5-12(18)6-4-11/h2-9,17-18H,1H3
InChIKeyMFSLMAPWUXYZEJ-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2,5-difluorophenyl)ethylamino]phenol
CID 43742782
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 82964329
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 82963519
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethynylaniline
CID 82961346
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]phenol
CID 43790398
4-[1-(5-bromo-2-fluoroanilino)ethyl]benzene-1,3-diol
CID 43555382
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 82963206
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-chloro-4-nitroaniline
CID 82962942
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 82964735
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
CID 82964740
5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one
CID 82963864

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol?
The IUPAC name of 4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol (CID 82964843) is 4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol.
What is the SMILES notation for 4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol?
The canonical SMILES for 4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol is CC(Nc1ccc(O)cc1)c1cc(Br)ccc1F.
What is the InChIKey of 4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol?
The InChIKey is MFSLMAPWUXYZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9(13-8-10(15)2-7-14(13)16)17-11-3-5-12(18)6-4-11/h2-9,17-18H,1H3.
What are the key properties of 4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol?
4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol has a molecular weight of 310.17 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol is sourced from PubChem (CID 82964843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).