4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline

C14H13BrFNO — CID 43381965

IUPAC4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline
SMILESNc1ccc(COCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H13BrFNO/c15-12-4-3-11(14(16)7-12)9-18-8-10-1-5-13(17)6-2-10/h1-7H,8-9,17H2
InChIKeyZIDFNGIXALVPKO-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.89
Rot. Bonds4

About 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline

4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline (PubChem CID 43381965) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline
PubChem CID43381965
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline
SMILESNc1ccc(COCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C14H13BrFNO/c15-12-4-3-11(14(16)7-12)9-18-8-10-1-5-13(17)6-2-10/h1-7H,8-9,17H2
InChIKeyZIDFNGIXALVPKO-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine
CID 62344228
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
4-[(4-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82805765
4-[[(4-bromo-2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 43458293
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
CID 107879069
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline
CID 112651663
3-chloro-4-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124497
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
(2S)-2-[(4-bromo-2-fluorophenyl)methoxymethyl]oxirane
CID 97180097
4-bromo-2-fluoro-1-(heptoxymethyl)benzene
CID 63457543
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline (CID 43381965) is 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline is Nc1ccc(COCc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline?
The InChIKey is ZIDFNGIXALVPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-4-3-11(14(16)7-12)9-18-8-10-1-5-13(17)6-2-10/h1-7H,8-9,17H2.
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline?
4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline has a molecular weight of 310.17 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline is sourced from PubChem (CID 43381965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).