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

C17H19Br2N — CID 63425771

IUPAC2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(Br)c(NC(C)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H19Br2N/c1-12-10-15(18)17(16(19)11-12)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3
InChIKeyATCDHRUWPANGRA-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.95
Rot. Bonds5

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

2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline (PubChem CID 63425771) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
PubChem CID63425771
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(Br)c(NC(C)CCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H19Br2N/c1-12-10-15(18)17(16(19)11-12)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3
InChIKeyATCDHRUWPANGRA-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

5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
2,6-dibromo-4-methyl-N-(1-phenylbutan-2-yl)aniline
CID 79007261
2-bromo-5-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 107632948
2,6-dibromo-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107597022
4-bromo-2,6-dichloro-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 63425619
4-bromo-2,6-difluoro-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 65467957
2-(4-phenylbutan-2-ylamino)benzene-1,3-dicarbonitrile
CID 133498329
4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine
CID 65342611
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(1S)-1-(4-bromophenyl)ethyl]-4-phenylbutan-2-amine
CID 81359942
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline?
The IUPAC name of 2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline (CID 63425771) is 2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline.
What is the SMILES notation for 2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline?
The canonical SMILES for 2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline is Cc1cc(Br)c(NC(C)CCc2ccccc2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline?
The InChIKey is ATCDHRUWPANGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-12-10-15(18)17(16(19)11-12)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 2,6-dibromo-4-methyl-N-(4-phenylbutan-2-yl)aniline?
2,6-dibromo-4-methyl-N-(4-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-(4-phenylbutan-2-yl)aniline is sourced from PubChem (CID 63425771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).