2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline

C17H19Br2N — CID 79007261

IUPAC2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C17H19Br2N/c1-3-14(11-13-7-5-4-6-8-13)20-17-15(18)9-12(2)10-16(17)19/h4-10,14,20H,3,11H2,1-2H3
InChIKeyKFURBPDTARJOMW-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.95
Rot. Bonds5

About 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline

2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline (PubChem CID 79007261) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline
PubChem CID79007261
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline
SMILESCCC(Cc1ccccc1)Nc1c(Br)cc(C)cc1Br
InChIInChI=1S/C17H19Br2N/c1-3-14(11-13-7-5-4-6-8-13)20-17-15(18)9-12(2)10-16(17)19/h4-10,14,20H,3,11H2,1-2H3
InChIKeyKFURBPDTARJOMW-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 55199601
2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 63425771
3,5-dichloro-N-(1-phenylbutan-2-yl)aniline
CID 79007274
2,6-dibromo-N-pentan-3-ylaniline
CID 107597667
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
[3-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007308
2,5-dichloro-4-methyl-N-(1-phenylbutan-2-yl)aniline
CID 104726531
4-tert-butyl-N-(1-phenylbutan-2-yl)aniline
CID 79008661
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
N-(1-phenylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107648590
4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline?
The IUPAC name of 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline (CID 79007261) is 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline.
What is the SMILES notation for 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline?
The canonical SMILES for 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline is CCC(Cc1ccccc1)Nc1c(Br)cc(C)cc1Br.
What is the InChIKey of 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline?
The InChIKey is KFURBPDTARJOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-3-14(11-13-7-5-4-6-8-13)20-17-15(18)9-12(2)10-16(17)19/h4-10,14,20H,3,11H2,1-2H3.
What are the key properties of 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline?
2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline has a molecular weight of 397.15 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline is sourced from PubChem (CID 79007261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).