3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline

C15H15BrClNO3 — CID 43379169

IUPAC3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2c(N)cc(Cl)cc2Br)cc1OC
InChIInChI=1S/C15H15BrClNO3/c1-19-13-4-3-9(5-14(13)20-2)8-21-15-11(16)6-10(17)7-12(15)18/h3-7H,8,18H2,1-2H3
InChIKeyLOFFXKDOYUXVAR-UHFFFAOYSA-N
MW372.65 g/mol
LogP4.28
Rot. Bonds5

About 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline

3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline (PubChem CID 43379169) has the molecular formula C15H15BrClNO3 and a molecular weight of 372.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline
PubChem CID43379169
Molecular FormulaC15H15BrClNO3
Molecular Weight372.65 g/mol
Exact Mass370.99
IUPAC Name3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2c(N)cc(Cl)cc2Br)cc1OC
InChIInChI=1S/C15H15BrClNO3/c1-19-13-4-3-9(5-14(13)20-2)8-21-15-11(16)6-10(17)7-12(15)18/h3-7H,8,18H2,1-2H3
InChIKeyLOFFXKDOYUXVAR-UHFFFAOYSA-N
XLogP4.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[(3,4-dimethoxyphenyl)methoxy]-5-fluoroaniline
CID 43379349
3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline
CID 43379204
3-bromo-5-chloro-2-[[4-(trifluoromethyl)phenyl]methoxy]aniline
CID 63404252
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
3-[(2-amino-6-bromo-4-chlorophenoxy)methyl]benzonitrile
CID 43379093
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
CID 43622800
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
4-[(2-bromo-4,6-dichlorophenoxy)methyl]aniline
CID 22688171
5-[(2-bromo-4-chlorophenoxy)methyl]-2-chloroaniline
CID 43349955
3-bromo-5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 43379351
1-bromo-5-(bromomethyl)-2-[(3,4-difluorophenyl)methoxy]-3-methoxybenzene
CID 82916368

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline?
The IUPAC name of 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline (CID 43379169) is 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline?
The canonical SMILES for 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline is COc1ccc(COc2c(N)cc(Cl)cc2Br)cc1OC.
What is the InChIKey of 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline?
The InChIKey is LOFFXKDOYUXVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO3/c1-19-13-4-3-9(5-14(13)20-2)8-21-15-11(16)6-10(17)7-12(15)18/h3-7H,8,18H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline?
3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline has a molecular weight of 372.65 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-[(3,4-dimethoxyphenyl)methoxy]aniline is sourced from PubChem (CID 43379169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).