3-[(2-bromophenyl)methoxy]-4-methylaniline

C14H14BrNO — CID 43520223

IUPAC3-[(2-bromophenyl)methoxy]-4-methylaniline
SMILESCc1ccc(N)cc1OCc1ccccc1Br
InChIInChI=1S/C14H14BrNO/c1-10-6-7-12(16)8-14(10)17-9-11-4-2-3-5-13(11)15/h2-8H,9,16H2,1H3
InChIKeyWVTKULLZMUUGHX-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.92
Rot. Bonds3

About 3-[(2-bromophenyl)methoxy]-4-methylaniline

3-[(2-bromophenyl)methoxy]-4-methylaniline (PubChem CID 43520223) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]-4-methylaniline.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]-4-methylaniline
PubChem CID43520223
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name3-[(2-bromophenyl)methoxy]-4-methylaniline
SMILESCc1ccc(N)cc1OCc1ccccc1Br
InChIInChI=1S/C14H14BrNO/c1-10-6-7-12(16)8-14(10)17-9-11-4-2-3-5-13(11)15/h2-8H,9,16H2,1H3
InChIKeyWVTKULLZMUUGHX-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
CID 55158064
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline
CID 103009356
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
6-[(2-bromophenyl)methoxy]-5-methylpyridin-3-amine
CID 82827886
2-[[2-[(2,5-diaminophenoxy)methyl]phenyl]methoxy]benzene-1,4-diamine
CID 10132592
3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
2-bromo-5-[(2-bromophenyl)methoxy]-1,3-dimethylbenzene
CID 107723747
3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline
CID 114847555

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]-4-methylaniline?
The IUPAC name of 3-[(2-bromophenyl)methoxy]-4-methylaniline (CID 43520223) is 3-[(2-bromophenyl)methoxy]-4-methylaniline.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]-4-methylaniline?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]-4-methylaniline is Cc1ccc(N)cc1OCc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]-4-methylaniline?
The InChIKey is WVTKULLZMUUGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-6-7-12(16)8-14(10)17-9-11-4-2-3-5-13(11)15/h2-8H,9,16H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methoxy]-4-methylaniline?
3-[(2-bromophenyl)methoxy]-4-methylaniline has a molecular weight of 292.18 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]-4-methylaniline is sourced from PubChem (CID 43520223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).