3-[(2-bromophenoxy)methyl]-4-methoxyaniline

C14H14BrNO2 — CID 43134680

IUPAC3-[(2-bromophenoxy)methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1COc1ccccc1Br
InChIInChI=1S/C14H14BrNO2/c1-17-13-7-6-11(16)8-10(13)9-18-14-5-3-2-4-12(14)15/h2-8H,9,16H2,1H3
InChIKeyCABIUTZNTKDZLR-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.62
Rot. Bonds4

About 3-[(2-bromophenoxy)methyl]-4-methoxyaniline

3-[(2-bromophenoxy)methyl]-4-methoxyaniline (PubChem CID 43134680) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-[(2-bromophenoxy)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[(2-bromophenoxy)methyl]-4-methoxyaniline
PubChem CID43134680
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-[(2-bromophenoxy)methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1COc1ccccc1Br
InChIInChI=1S/C14H14BrNO2/c1-17-13-7-6-11(16)8-10(13)9-18-14-5-3-2-4-12(14)15/h2-8H,9,16H2,1H3
InChIKeyCABIUTZNTKDZLR-UHFFFAOYSA-N
XLogP3.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-bromophenoxy)methyl]-4-methoxyaniline 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-[(2-bromo-4-fluorophenoxy)methyl]-4-methoxyaniline
CID 43247179
[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
CID 168529800
4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline
CID 103008574
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
(Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
CID 170877289
3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
CID 43247195
4-[(2-bromophenoxy)methyl]-3-methoxyphenol
CID 117219537
4-[(2-bromophenoxy)methyl]-3-(trifluoromethyl)aniline
CID 81117259
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
(E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566883

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenoxy)methyl]-4-methoxyaniline?
The IUPAC name of 3-[(2-bromophenoxy)methyl]-4-methoxyaniline (CID 43134680) is 3-[(2-bromophenoxy)methyl]-4-methoxyaniline.
What is the SMILES notation for 3-[(2-bromophenoxy)methyl]-4-methoxyaniline?
The canonical SMILES for 3-[(2-bromophenoxy)methyl]-4-methoxyaniline is COc1ccc(N)cc1COc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenoxy)methyl]-4-methoxyaniline?
The InChIKey is CABIUTZNTKDZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-17-13-7-6-11(16)8-10(13)9-18-14-5-3-2-4-12(14)15/h2-8H,9,16H2,1H3.
What are the key properties of 3-[(2-bromophenoxy)methyl]-4-methoxyaniline?
3-[(2-bromophenoxy)methyl]-4-methoxyaniline has a molecular weight of 308.18 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenoxy)methyl]-4-methoxyaniline is sourced from PubChem (CID 43134680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).