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

C14H14BrNO — CID 43437900

IUPAC3-[(3-bromophenyl)methoxy]-2-methylaniline
SMILESCc1c(N)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C14H14BrNO/c1-10-13(16)6-3-7-14(10)17-9-11-4-2-5-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyXURPEBDFXAGCSH-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.92
Rot. Bonds3

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

3-[(3-bromophenyl)methoxy]-2-methylaniline (PubChem CID 43437900) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-2-methylaniline
PubChem CID43437900
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name3-[(3-bromophenyl)methoxy]-2-methylaniline
SMILESCc1c(N)cccc1OCc1cccc(Br)c1
InChIInChI=1S/C14H14BrNO/c1-10-13(16)6-3-7-14(10)17-9-11-4-2-5-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyXURPEBDFXAGCSH-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

2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
3-[(3-amino-2-methylphenoxy)methyl]benzonitrile
CID 43381829
2-[(3-bromophenyl)methoxy]-5-methylsulfonylaniline
CID 82828789
2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine
CID 83270095
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
[2-[(3-bromophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530074
3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline
CID 43381850
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
CID 82828617
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-2-methylaniline?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-2-methylaniline (CID 43437900) is 3-[(3-bromophenyl)methoxy]-2-methylaniline.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-2-methylaniline?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-2-methylaniline is Cc1c(N)cccc1OCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-2-methylaniline?
The InChIKey is XURPEBDFXAGCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-13(16)6-3-7-14(10)17-9-11-4-2-5-12(15)8-11/h2-8H,9,16H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-2-methylaniline?
3-[(3-bromophenyl)methoxy]-2-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-[(3-bromophenyl)methoxy]-2-methylaniline is sourced from PubChem (CID 43437900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).