4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline

C17H19Br2N — CID 107571835

IUPAC4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
SMILESCCC(Nc1cc(C)c(Br)c(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19Br2N/c1-4-16(13-5-7-14(18)8-6-13)20-15-9-11(2)17(19)12(3)10-15/h5-10,16,20H,4H2,1-3H3
InChIKeyBNYVVKCYACOGSC-UHFFFAOYSA-N
MW397.15 g/mol
LogP6.39
Rot. Bonds4

About 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline

4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline (PubChem CID 107571835) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
PubChem CID107571835
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
SMILESCCC(Nc1cc(C)c(Br)c(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19Br2N/c1-4-16(13-5-7-14(18)8-6-13)20-15-9-11(2)17(19)12(3)10-15/h5-10,16,20H,4H2,1-3H3
InChIKeyBNYVVKCYACOGSC-UHFFFAOYSA-N
XLogP6.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177
N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
CID 63476866
4-[1-(4-bromophenyl)propylamino]benzoic acid
CID 43321634
N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
CID 107582913
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
CID 114330802
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline (CID 107571835) is 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline is CCC(Nc1cc(C)c(Br)c(C)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline?
The InChIKey is BNYVVKCYACOGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-4-16(13-5-7-14(18)8-6-13)20-15-9-11(2)17(19)12(3)10-15/h5-10,16,20H,4H2,1-3H3.
What are the key properties of 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline?
4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline has a molecular weight of 397.15 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline is sourced from PubChem (CID 107571835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).