5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline

C13H18BrFN2O — CID 66110381

IUPAC5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline
SMILESCN1CCCCC1COc1cc(F)c(Br)cc1N
InChIInChI=1S/C13H18BrFN2O/c1-17-5-3-2-4-9(17)8-18-13-7-11(15)10(14)6-12(13)16/h6-7,9H,2-5,8,16H2,1H3
InChIKeyPOIABUOZJZNEGX-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline

5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline (PubChem CID 66110381) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline
PubChem CID66110381
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline
SMILESCN1CCCCC1COc1cc(F)c(Br)cc1N
InChIInChI=1S/C13H18BrFN2O/c1-17-5-3-2-4-9(17)8-18-13-7-11(15)10(14)6-12(13)16/h6-7,9H,2-5,8,16H2,1H3
InChIKeyPOIABUOZJZNEGX-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.03
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

3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472075
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
5-bromo-4-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 66111356
4-[(1-methylpiperidin-2-yl)methoxy]pyridin-3-amine
CID 65472260
3-bromo-4-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 82805149
3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid
CID 65469618
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-amine
CID 65472450
3-bromo-5-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107910959
(1R)-1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
CID 79009023
1-[2-fluoro-6-[(1-methylpiperidin-2-yl)methoxy]phenyl]ethanamine
CID 65467678
4-bromo-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 114903767

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline?
The IUPAC name of 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline (CID 66110381) is 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline is CN1CCCCC1COc1cc(F)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline?
The InChIKey is POIABUOZJZNEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-17-5-3-2-4-9(17)8-18-13-7-11(15)10(14)6-12(13)16/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline?
5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline has a molecular weight of 317.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline is sourced from PubChem (CID 66110381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).