3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline

C13H20BrN — CID 63463599

IUPAC3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1ccc(C)c(Br)c1)C(C)C
InChIInChI=1S/C13H20BrN/c1-5-13(9(2)3)15-11-7-6-10(4)12(14)8-11/h6-9,13,15H,5H2,1-4H3
InChIKeyMXFLIERCIRRCPR-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.60
Rot. Bonds4

About 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline

3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline (PubChem CID 63463599) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline
PubChem CID63463599
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1ccc(C)c(Br)c1)C(C)C
InChIInChI=1S/C13H20BrN/c1-5-13(9(2)3)15-11-7-6-10(4)12(14)8-11/h6-9,13,15H,5H2,1-4H3
InChIKeyMXFLIERCIRRCPR-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-methyl-N-(5-methylhexan-2-yl)aniline
CID 63464565
3-bromo-N-heptan-3-yl-4-methylaniline
CID 63946952
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
ethyl 2-(3-bromo-4-methylanilino)butanoate
CID 64669977
2-(3-bromo-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028281
4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
CID 43780446
3-bromo-4-methyl-N-(1-phenylbutyl)aniline
CID 63463611
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93282117
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline?
The IUPAC name of 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline (CID 63463599) is 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline?
The canonical SMILES for 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline is CCC(Nc1ccc(C)c(Br)c1)C(C)C.
What is the InChIKey of 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline?
The InChIKey is MXFLIERCIRRCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-5-13(9(2)3)15-11-7-6-10(4)12(14)8-11/h6-9,13,15H,5H2,1-4H3.
What are the key properties of 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline?
3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline has a molecular weight of 270.21 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-methylpentan-3-yl)aniline is sourced from PubChem (CID 63463599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).