2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline

C15H23BrFN — CID 107632561

IUPAC2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline
SMILESCC(C)CC(CC(C)C)Nc1cc(F)ccc1Br
InChIInChI=1S/C15H23BrFN/c1-10(2)7-13(8-11(3)4)18-15-9-12(17)5-6-14(15)16/h5-6,9-11,13,18H,7-8H2,1-4H3
InChIKeyMUOLOQKIKOUKGZ-UHFFFAOYSA-N
MW316.26 g/mol
LogP5.46
Rot. Bonds6

About 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline

2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline (PubChem CID 107632561) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline
PubChem CID107632561
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline
SMILESCC(C)CC(CC(C)C)Nc1cc(F)ccc1Br
InChIInChI=1S/C15H23BrFN/c1-10(2)7-13(8-11(3)4)18-15-9-12(17)5-6-14(15)16/h5-6,9-11,13,18H,7-8H2,1-4H3
InChIKeyMUOLOQKIKOUKGZ-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.26
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-fluoro-N-(3-methylpentan-2-yl)aniline
CID 107632869
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
2-bromo-N-(5,5-dimethylhexan-2-yl)-5-fluoroaniline
CID 114279957
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
CID 107632832
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967
2-bromo-5-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 107632948
4-(2-bromo-5-fluoroanilino)pentanoic acid
CID 107633429
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
tert-butyl N-[2-(2-bromo-5-fluoroanilino)propyl]carbamate
CID 107632654
2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline
CID 107633198

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline?
The IUPAC name of 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline (CID 107632561) is 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline is CC(C)CC(CC(C)C)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline?
The InChIKey is MUOLOQKIKOUKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-10(2)7-13(8-11(3)4)18-15-9-12(17)5-6-14(15)16/h5-6,9-11,13,18H,7-8H2,1-4H3.
What are the key properties of 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline?
2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline has a molecular weight of 316.26 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dimethylheptan-4-yl)-5-fluoroaniline is sourced from PubChem (CID 107632561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).