4-bromo-2-[(3-chlorophenyl)methoxy]aniline

C13H11BrClNO — CID 65342868

IUPAC4-bromo-2-[(3-chlorophenyl)methoxy]aniline
SMILESNc1ccc(Br)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C13H11BrClNO/c14-10-4-5-12(16)13(7-10)17-8-9-2-1-3-11(15)6-9/h1-7H,8,16H2
InChIKeyNCSCCJFQPFLBFZ-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.26
Rot. Bonds3

About 4-bromo-2-[(3-chlorophenyl)methoxy]aniline

4-bromo-2-[(3-chlorophenyl)methoxy]aniline (PubChem CID 65342868) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 4-bromo-2-[(3-chlorophenyl)methoxy]aniline.

Molecular Properties

Compound Name4-bromo-2-[(3-chlorophenyl)methoxy]aniline
PubChem CID65342868
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name4-bromo-2-[(3-chlorophenyl)methoxy]aniline
SMILESNc1ccc(Br)cc1OCc1cccc(Cl)c1
InChIInChI=1S/C13H11BrClNO/c14-10-4-5-12(16)13(7-10)17-8-9-2-1-3-11(15)6-9/h1-7H,8,16H2
InChIKeyNCSCCJFQPFLBFZ-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.26
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-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589158
[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530433
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine
CID 65126875
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
5-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599748
3-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenoxy]methyl]azetidin-3-ol
CID 58405041
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
2-[(3-bromo-5-fluorophenyl)methoxy]-4-chloroaniline
CID 79703808

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-chlorophenyl)methoxy]aniline?
The IUPAC name of 4-bromo-2-[(3-chlorophenyl)methoxy]aniline (CID 65342868) is 4-bromo-2-[(3-chlorophenyl)methoxy]aniline.
What is the SMILES notation for 4-bromo-2-[(3-chlorophenyl)methoxy]aniline?
The canonical SMILES for 4-bromo-2-[(3-chlorophenyl)methoxy]aniline is Nc1ccc(Br)cc1OCc1cccc(Cl)c1.
What is the InChIKey of 4-bromo-2-[(3-chlorophenyl)methoxy]aniline?
The InChIKey is NCSCCJFQPFLBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c14-10-4-5-12(16)13(7-10)17-8-9-2-1-3-11(15)6-9/h1-7H,8,16H2.
What are the key properties of 4-bromo-2-[(3-chlorophenyl)methoxy]aniline?
4-bromo-2-[(3-chlorophenyl)methoxy]aniline has a molecular weight of 312.59 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-chlorophenyl)methoxy]aniline is sourced from PubChem (CID 65342868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).