4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide

C15H15BrN2O2 — CID 114479028

IUPAC4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COc1c(N)cccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-9-7-10(15(18)19)5-6-11(9)8-20-14-12(16)3-2-4-13(14)17/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyOCAAFSHSGLYTRX-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.02
Rot. Bonds4

About 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide

4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide (PubChem CID 114479028) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
PubChem CID114479028
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COc1c(N)cccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-9-7-10(15(18)19)5-6-11(9)8-20-14-12(16)3-2-4-13(14)17/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyOCAAFSHSGLYTRX-UHFFFAOYSA-N
XLogP3.02
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114478979
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
CID 102663198
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
CID 102702450
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
4-[(2,6-dimethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482196
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide (CID 114479028) is 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1COc1c(N)cccc1Br.
What is the InChIKey of 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide?
The InChIKey is OCAAFSHSGLYTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-7-10(15(18)19)5-6-11(9)8-20-14-12(16)3-2-4-13(14)17/h2-7H,8,17H2,1H3,(H2,18,19).
What are the key properties of 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide?
4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide is sourced from PubChem (CID 114479028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).