2-bromo-6-fluoro-N-(2-methoxypropyl)aniline

C10H13BrFNO — CID 107599525

IUPAC2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
SMILESCOC(C)CNc1c(F)cccc1Br
InChIInChI=1S/C10H13BrFNO/c1-7(14-2)6-13-10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyWGNNAFDRAFSHSZ-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.04
Rot. Bonds4

About 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline

2-bromo-6-fluoro-N-(2-methoxypropyl)aniline (PubChem CID 107599525) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
PubChem CID107599525
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
SMILESCOC(C)CNc1c(F)cccc1Br
InChIInChI=1S/C10H13BrFNO/c1-7(14-2)6-13-10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyWGNNAFDRAFSHSZ-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 107598486
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
CID 107599348
1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
CID 107599499
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
2-bromo-6-fluoro-N-methylaniline
CID 21161540
2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
CID 107598972
5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
CID 107592069
2-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-6-fluoroaniline
CID 107597882
2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoroaniline
CID 107598423
2-bromo-6-fluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103741861

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline?
The IUPAC name of 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline (CID 107599525) is 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline is COC(C)CNc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline?
The InChIKey is WGNNAFDRAFSHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-7(14-2)6-13-10-8(11)4-3-5-9(10)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline?
2-bromo-6-fluoro-N-(2-methoxypropyl)aniline has a molecular weight of 262.12 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(2-methoxypropyl)aniline is sourced from PubChem (CID 107599525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).