5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline

C11H15BrFNO — CID 107592069

IUPAC5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
SMILESCOC(C)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C11H15BrFNO/c1-7-4-10(13)9(12)5-11(7)14-6-8(2)15-3/h4-5,8,14H,6H2,1-3H3
InChIKeyBHPWHPRHBLZDFZ-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.34
Rot. Bonds4

About 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline

5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline (PubChem CID 107592069) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
PubChem CID107592069
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
SMILESCOC(C)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C11H15BrFNO/c1-7-4-10(13)9(12)5-11(7)14-6-8(2)15-3/h4-5,8,14H,6H2,1-3H3
InChIKeyBHPWHPRHBLZDFZ-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline 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

5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
CID 107591186
ethyl 3-(5-bromo-4-fluoro-2-methylanilino)-2-methylpropanoate
CID 107591791
1-(5-bromo-4-fluoro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 107592126
1-(5-bromo-4-fluoro-2-methylanilino)-3-ethoxypropan-2-ol
CID 107591894
1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853
methyl 2-acetamido-3-(5-bromo-4-fluoro-2-methylanilino)propanoate
CID 107592911
5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486
2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103238726
2-(5-bromo-4-fluoro-2-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 107591968
2-(5-bromo-4-fluoro-2-methylanilino)-1-(4-chlorophenyl)ethanol
CID 107591865
5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline
CID 107591726
5-bromo-4-fluoro-2-methyl-N-(3-methylbut-3-enyl)aniline
CID 107591926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline?
The IUPAC name of 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline (CID 107592069) is 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline.
What is the SMILES notation for 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline?
The canonical SMILES for 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline is COC(C)CNc1cc(Br)c(F)cc1C.
What is the InChIKey of 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline?
The InChIKey is BHPWHPRHBLZDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-7-4-10(13)9(12)5-11(7)14-6-8(2)15-3/h4-5,8,14H,6H2,1-3H3.
What are the key properties of 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline?
5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline has a molecular weight of 276.15 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline is sourced from PubChem (CID 107592069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).