2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline

C14H20BrF2N — CID 43347573

IUPAC2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C14H20BrF2N/c1-4-9(3)6-11(5-2)18-14-12(15)7-10(16)8-13(14)17/h7-9,11,18H,4-6H2,1-3H3
InChIKeyDYSLQTBWXHJJND-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.35
Rot. Bonds6

About 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline

2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline (PubChem CID 43347573) has the molecular formula C14H20BrF2N and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline
PubChem CID43347573
Molecular FormulaC14H20BrF2N
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C14H20BrF2N/c1-4-9(3)6-11(5-2)18-14-12(15)7-10(16)8-13(14)17/h7-9,11,18H,4-6H2,1-3H3
InChIKeyDYSLQTBWXHJJND-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
CID 55197881
2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 55199601
2-bromo-4,6-difluoro-N-undecan-6-ylaniline
CID 63423408
4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline
CID 55191771
2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
CID 102868237
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
4-bromo-2,6-difluoro-N-pentan-3-ylaniline
CID 65469105
2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
CID 43347728
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
3-bromo-4-iodo-N-(5-methylheptan-3-yl)aniline
CID 114261964

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline (CID 43347573) is 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline?
The InChIKey is DYSLQTBWXHJJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2N/c1-4-9(3)6-11(5-2)18-14-12(15)7-10(16)8-13(14)17/h7-9,11,18H,4-6H2,1-3H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline?
2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline has a molecular weight of 320.22 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 43347573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).