3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline

C14H13BrFNO2 — CID 43379359

IUPAC3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
SMILESCOc1cccc(COc2c(N)cc(F)cc2Br)c1
InChIInChI=1S/C14H13BrFNO2/c1-18-11-4-2-3-9(5-11)8-19-14-12(15)6-10(16)7-13(14)17/h2-7H,8,17H2,1H3
InChIKeyJFLRWESHJYJYJH-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.76
Rot. Bonds4

About 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline

3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline (PubChem CID 43379359) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
PubChem CID43379359
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
SMILESCOc1cccc(COc2c(N)cc(F)cc2Br)c1
InChIInChI=1S/C14H13BrFNO2/c1-18-11-4-2-3-9(5-11)8-19-14-12(15)6-10(16)7-13(14)17/h2-7H,8,17H2,1H3
InChIKeyJFLRWESHJYJYJH-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 43379351
3-bromo-2-[(3,4-dimethoxyphenyl)methoxy]-5-fluoroaniline
CID 43379349
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline
CID 55036946
3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline
CID 107877984
1-[3-amino-5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanone
CID 116541394
3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline
CID 43379258
3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891772
3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline
CID 43379358
[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane
CID 59244002
5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 61227713
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline?
The IUPAC name of 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline (CID 43379359) is 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline is COc1cccc(COc2c(N)cc(F)cc2Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline?
The InChIKey is JFLRWESHJYJYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-18-11-4-2-3-9(5-11)8-19-14-12(15)6-10(16)7-13(14)17/h2-7H,8,17H2,1H3.
What are the key properties of 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline?
3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline has a molecular weight of 326.17 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 43379359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).