2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline

C16H17Br2N — CID 43096177

IUPAC2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C16H17Br2N/c1-3-15(12-5-7-13(17)8-6-12)19-16-9-4-11(2)10-14(16)18/h4-10,15,19H,3H2,1-2H3
InChIKeyGKVFREHTJGPEPM-UHFFFAOYSA-N
MW383.13 g/mol
LogP6.08
Rot. Bonds4

About 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline

2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline (PubChem CID 43096177) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
PubChem CID43096177
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C16H17Br2N/c1-3-15(12-5-7-13(17)8-6-12)19-16-9-4-11(2)10-14(16)18/h4-10,15,19H,3H2,1-2H3
InChIKeyGKVFREHTJGPEPM-UHFFFAOYSA-N
XLogP6.08
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 ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-methyl-N-[1-(4-methylphenyl)propyl]aniline
CID 82761260
2-bromo-N-[1-(3-chlorophenyl)propyl]-4-methylaniline
CID 43107792
5-bromo-2-fluoro-N-[1-(4-methylphenyl)propyl]aniline
CID 43555340
5-bromo-N-[1-(4-bromophenyl)propyl]-2,4-difluoroaniline
CID 102853099
N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
CID 63476866
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
CID 107571835
2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
CID 112582820
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline
CID 43099892

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline?
The IUPAC name of 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline (CID 43096177) is 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline?
The canonical SMILES for 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline is CCC(Nc1ccc(C)cc1Br)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline?
The InChIKey is GKVFREHTJGPEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-3-15(12-5-7-13(17)8-6-12)19-16-9-4-11(2)10-14(16)18/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline?
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline has a molecular weight of 383.13 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline is sourced from PubChem (CID 43096177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).