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

C15H22BrClFN — CID 107610149

IUPAC2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
SMILESCC(C)CC(CC(C)C)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C15H22BrClFN/c1-9(2)5-12(6-10(3)4)19-15-13(16)7-11(18)8-14(15)17/h7-10,12,19H,5-6H2,1-4H3
InChIKeyDFEYFEADAWLVBL-UHFFFAOYSA-N
MW350.70 g/mol
LogP6.11
Rot. Bonds6

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

2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline (PubChem CID 107610149) has the molecular formula C15H22BrClFN and a molecular weight of 350.70 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
PubChem CID107610149
Molecular FormulaC15H22BrClFN
Molecular Weight350.70 g/mol
Exact Mass349.06
IUPAC Name2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
SMILESCC(C)CC(CC(C)C)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C15H22BrClFN/c1-9(2)5-12(6-10(3)4)19-15-13(16)7-11(18)8-14(15)17/h7-10,12,19H,5-6H2,1-4H3
InChIKeyDFEYFEADAWLVBL-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.70
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
CID 107610495
2-bromo-N-but-3-yn-2-yl-6-chloro-4-fluoroaniline
CID 107611249
2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline
CID 107610311
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline
CID 107610038
2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 107610244
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107614541
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
1-(2-bromo-6-chloro-4-fluorophenyl)-3-(2-methylpropyl)thiourea
CID 107610834

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline?
The IUPAC name of 2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline (CID 107610149) is 2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline?
The canonical SMILES for 2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline is CC(C)CC(CC(C)C)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline?
The InChIKey is DFEYFEADAWLVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClFN/c1-9(2)5-12(6-10(3)4)19-15-13(16)7-11(18)8-14(15)17/h7-10,12,19H,5-6H2,1-4H3.
What are the key properties of 2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline?
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline has a molecular weight of 350.70 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline is sourced from PubChem (CID 107610149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).