2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol

C14H13BrFNO — CID 61390509

IUPAC2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol
SMILESCc1ccc(F)c(NCc2cccc(Br)c2O)c1
InChIInChI=1S/C14H13BrFNO/c1-9-5-6-12(16)13(7-9)17-8-10-3-2-4-11(15)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyFALBYSQJVHYFKC-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.21
Rot. Bonds3

About 2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol

2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol (PubChem CID 61390509) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol
PubChem CID61390509
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol
SMILESCc1ccc(F)c(NCc2cccc(Br)c2O)c1
InChIInChI=1S/C14H13BrFNO/c1-9-5-6-12(16)13(7-9)17-8-10-3-2-4-11(15)14(10)18/h2-7,17-18H,8H2,1H3
InChIKeyFALBYSQJVHYFKC-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-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
2-bromo-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810492
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
CID 61390276
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
2-[(5-bromo-2,4-difluoroanilino)methyl]-6-methoxyphenol
CID 102852747
2-bromo-6-[(3,5-difluoroanilino)methyl]phenol
CID 61389992
2-bromo-6-[(3-iodo-2-methylanilino)methyl]phenol
CID 114256858
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol?
The IUPAC name of 2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol (CID 61390509) is 2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol is Cc1ccc(F)c(NCc2cccc(Br)c2O)c1.
What is the InChIKey of 2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol?
The InChIKey is FALBYSQJVHYFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-5-6-12(16)13(7-9)17-8-10-3-2-4-11(15)14(10)18/h2-7,17-18H,8H2,1H3.
What are the key properties of 2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol?
2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol 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-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol is sourced from PubChem (CID 61390509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).