2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol

C14H13BrFNO — CID 103947747

IUPAC2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
SMILESCc1ccc(Br)cc1NCc1cc(F)ccc1O
InChIInChI=1S/C14H13BrFNO/c1-9-2-3-11(15)7-13(9)17-8-10-6-12(16)4-5-14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyOKFODOCSDDJKOV-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.21
Rot. Bonds3

About 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol

2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol (PubChem CID 103947747) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
PubChem CID103947747
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
SMILESCc1ccc(Br)cc1NCc1cc(F)ccc1O
InChIInChI=1S/C14H13BrFNO/c1-9-2-3-11(15)7-13(9)17-8-10-6-12(16)4-5-14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyOKFODOCSDDJKOV-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-2-methylanilino)methyl]-4-chlorophenol
CID 43729647
4-[(5-bromo-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952954
4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107694477
4-bromo-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107737917
4-bromo-2-[(5-bromo-4-fluoro-2-methylanilino)methyl]phenol
CID 107738057
4-[(5-fluoro-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952997
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 105370653
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
2-[[(5-bromo-2-chloro-3-pyridinyl)amino]methyl]-4-fluorophenol
CID 114051995
2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
CID 60960746
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol?
The IUPAC name of 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol (CID 103947747) is 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol is Cc1ccc(Br)cc1NCc1cc(F)ccc1O.
What is the InChIKey of 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol?
The InChIKey is OKFODOCSDDJKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-2-3-11(15)7-13(9)17-8-10-6-12(16)4-5-14(10)18/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol?
2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol has a molecular weight of 310.17 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol is sourced from PubChem (CID 103947747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).