2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline

C16H17Br2N — CID 107597110

IUPAC2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccc(CNc2c(Br)cccc2Br)cc1
InChIInChI=1S/C16H17Br2N/c1-11(2)13-8-6-12(7-9-13)10-19-16-14(17)4-3-5-15(16)18/h3-9,11,19H,10H2,1-2H3
InChIKeyQEFYNHMOSWKSTO-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.95
Rot. Bonds4

About 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline

2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline (PubChem CID 107597110) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline
PubChem CID107597110
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccc(CNc2c(Br)cccc2Br)cc1
InChIInChI=1S/C16H17Br2N/c1-11(2)13-8-6-12(7-9-13)10-19-16-14(17)4-3-5-15(16)18/h3-9,11,19H,10H2,1-2H3
InChIKeyQEFYNHMOSWKSTO-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 63425141
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
3-fluoro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 115125725
2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 107597647
2,6-dibromo-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 107597207
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
3-methyl-2-[(4-propan-2-ylphenyl)methylamino]benzonitrile
CID 107106759
2,6-dibromo-N-[(4-butoxyphenyl)methyl]aniline
CID 107596913
4-bromo-3,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107571843
2,6-dibromo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 107597318
2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107596990
2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 82818771

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline (CID 107597110) is 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline is CC(C)c1ccc(CNc2c(Br)cccc2Br)cc1.
What is the InChIKey of 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline?
The InChIKey is QEFYNHMOSWKSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-11(2)13-8-6-12(7-9-13)10-19-16-14(17)4-3-5-15(16)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline?
2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline has a molecular weight of 383.13 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 107597110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).