3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline

C14H13BrFNO — CID 43381850

IUPAC3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline
SMILESCc1c(N)cccc1OCc1cc(F)ccc1Br
InChIInChI=1S/C14H13BrFNO/c1-9-13(17)3-2-4-14(9)18-8-10-7-11(16)5-6-12(10)15/h2-7H,8,17H2,1H3
InChIKeyPACZTUFVNSJVBD-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.06
Rot. Bonds3

About 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline

3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline (PubChem CID 43381850) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline
PubChem CID43381850
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline
SMILESCc1c(N)cccc1OCc1cc(F)ccc1Br
InChIInChI=1S/C14H13BrFNO/c1-9-13(17)3-2-4-14(9)18-8-10-7-11(16)5-6-12(10)15/h2-7H,8,17H2,1H3
InChIKeyPACZTUFVNSJVBD-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.06
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

methyl 2-amino-6-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 107341847
3-[(3-bromo-2,6-difluorophenyl)methoxy]-2-methylaniline
CID 106262816
4-[(2-bromo-5-fluorophenyl)methoxy]-2-methyl-5-propan-2-ylaniline
CID 65217353
3-[(2-bromo-5-fluorophenoxy)methyl]-2-fluoroaniline
CID 107347993
2-bromo-3-[(5-fluoro-2-methylphenoxy)methyl]aniline
CID 114048616
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
3-[(3-bromophenyl)methoxy]-2-methylaniline
CID 43437900
3-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]aniline
CID 102980462
methyl 4-amino-3-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 43380143
4-[(2-bromo-5-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 63404713
4-[(3-amino-2-methylphenoxy)methyl]-3-fluorobenzonitrile
CID 43437885
3-[(2,5-dichlorophenyl)methoxy]-2-methylaniline
CID 65318206

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline?
The IUPAC name of 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline (CID 43381850) is 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline.
What is the SMILES notation for 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline?
The canonical SMILES for 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline is Cc1c(N)cccc1OCc1cc(F)ccc1Br.
What is the InChIKey of 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline?
The InChIKey is PACZTUFVNSJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-13(17)3-2-4-14(9)18-8-10-7-11(16)5-6-12(10)15/h2-7H,8,17H2,1H3.
What are the key properties of 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline?
3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline has a molecular weight of 310.17 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-fluorophenyl)methoxy]-2-methylaniline is sourced from PubChem (CID 43381850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).