5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline

C17H19BrFN — CID 107591356

IUPAC5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(F)c(Br)cc1NC(C)CCc1ccccc1
InChIInChI=1S/C17H19BrFN/c1-12-10-16(19)15(18)11-17(12)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3
InChIKeyQYQGOPAEKMVUNK-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.33
Rot. Bonds5

About 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline

5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline (PubChem CID 107591356) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
PubChem CID107591356
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(F)c(Br)cc1NC(C)CCc1ccccc1
InChIInChI=1S/C17H19BrFN/c1-12-10-16(19)15(18)11-17(12)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3
InChIKeyQYQGOPAEKMVUNK-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
2-bromo-5-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 107632948
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
CID 107591558
4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43717102
2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 63425771
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43769191
4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine
CID 65342611
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline?
The IUPAC name of 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline (CID 107591356) is 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline is Cc1cc(F)c(Br)cc1NC(C)CCc1ccccc1.
What is the InChIKey of 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline?
The InChIKey is QYQGOPAEKMVUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-12-10-16(19)15(18)11-17(12)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3.
What are the key properties of 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline?
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline has a molecular weight of 336.25 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline is sourced from PubChem (CID 107591356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).