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

C12H15BrFN — CID 107591726

IUPAC5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NCC1CCC1
InChIInChI=1S/C12H15BrFN/c1-8-5-11(14)10(13)6-12(8)15-7-9-3-2-4-9/h5-6,9,15H,2-4,7H2,1H3
InChIKeyAGBOWURIADXQAC-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.11
Rot. Bonds3

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

5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline (PubChem CID 107591726) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline
PubChem CID107591726
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NCC1CCC1
InChIInChI=1S/C12H15BrFN/c1-8-5-11(14)10(13)6-12(8)15-7-9-3-2-4-9/h5-6,9,15H,2-4,7H2,1H3
InChIKeyAGBOWURIADXQAC-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(cyclopentylmethyl)-2,5-difluoroaniline
CID 107609807
5-bromo-N-(2-cyclohexylethyl)-4-fluoro-2-methylaniline
CID 107591544
N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
CID 103584848
4-bromo-N-[(3,3-difluorocyclopentyl)methyl]-5-fluoro-2-methylaniline
CID 114223927
4-bromo-2,5-difluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107609339
4-bromo-5-fluoro-2-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 116735930
5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
CID 107592069
5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
CID 107591263
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
CID 107591186
4-bromo-5-fluoro-2-N-[(3-methylcyclopentyl)methyl]benzene-1,2-diamine
CID 107411269
5-bromo-4-fluoro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 107591892

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline?
The IUPAC name of 5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline (CID 107591726) is 5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline?
The canonical SMILES for 5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline is Cc1cc(F)c(Br)cc1NCC1CCC1.
What is the InChIKey of 5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline?
The InChIKey is AGBOWURIADXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-8-5-11(14)10(13)6-12(8)15-7-9-3-2-4-9/h5-6,9,15H,2-4,7H2,1H3.
What are the key properties of 5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline?
5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline has a molecular weight of 272.16 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline is sourced from PubChem (CID 107591726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).