3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline

C14H13BrClNO — CID 43379204

IUPAC3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline
SMILESCc1cccc(COc2c(N)cc(Cl)cc2Br)c1
InChIInChI=1S/C14H13BrClNO/c1-9-3-2-4-10(5-9)8-18-14-12(15)6-11(16)7-13(14)17/h2-7H,8,17H2,1H3
InChIKeyRWHJIJHMJUMNGL-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.57
Rot. Bonds3

About 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline

3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline (PubChem CID 43379204) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline
PubChem CID43379204
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline
SMILESCc1cccc(COc2c(N)cc(Cl)cc2Br)c1
InChIInChI=1S/C14H13BrClNO/c1-9-3-2-4-10(5-9)8-18-14-12(15)6-11(16)7-13(14)17/h2-7H,8,17H2,1H3
InChIKeyRWHJIJHMJUMNGL-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.57
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

3-[(2-amino-6-bromo-4-chlorophenoxy)methyl]benzonitrile
CID 43379093
3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline
CID 43379169
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
3-bromo-5-chloro-2-[[4-(trifluoromethyl)phenyl]methoxy]aniline
CID 63404252
3-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]propanoic acid
CID 10113366
[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
CID 132591526
[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 43626842
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
CID 43379359
5-[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593120
4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114478979
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline?
The IUPAC name of 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline (CID 43379204) is 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline?
The canonical SMILES for 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline is Cc1cccc(COc2c(N)cc(Cl)cc2Br)c1.
What is the InChIKey of 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline?
The InChIKey is RWHJIJHMJUMNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9-3-2-4-10(5-9)8-18-14-12(15)6-11(16)7-13(14)17/h2-7H,8,17H2,1H3.
What are the key properties of 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline?
3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline has a molecular weight of 326.62 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline is sourced from PubChem (CID 43379204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).