4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline

C17H18BrF2N — CID 107876218

IUPAC4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
SMILESCC(C)C(CNc1c(F)cc(Br)cc1F)c1ccccc1
InChIInChI=1S/C17H18BrF2N/c1-11(2)14(12-6-4-3-5-7-12)10-21-17-15(19)8-13(18)9-16(17)20/h3-9,11,14,21H,10H2,1-2H3
InChIKeyXOUYXMSEZDNBKM-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.58
Rot. Bonds5

About 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline

4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline (PubChem CID 107876218) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
PubChem CID107876218
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
SMILESCC(C)C(CNc1c(F)cc(Br)cc1F)c1ccccc1
InChIInChI=1S/C17H18BrF2N/c1-11(2)14(12-6-4-3-5-7-12)10-21-17-15(19)8-13(18)9-16(17)20/h3-9,11,14,21H,10H2,1-2H3
InChIKeyXOUYXMSEZDNBKM-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
CID 65470059
3-bromo-5-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876485
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
3-(4-bromo-2,6-difluoroanilino)-2-phenylpropanenitrile
CID 65467468
3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107875822
3-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)aniline
CID 107876350
2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol
CID 107876208
4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline
CID 65468335
5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875814
N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline
CID 65467183
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline (CID 107876218) is 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline is CC(C)C(CNc1c(F)cc(Br)cc1F)c1ccccc1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline?
The InChIKey is XOUYXMSEZDNBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-11(2)14(12-6-4-3-5-7-12)10-21-17-15(19)8-13(18)9-16(17)20/h3-9,11,14,21H,10H2,1-2H3.
What are the key properties of 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline?
4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline has a molecular weight of 354.24 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline is sourced from PubChem (CID 107876218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).