5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline

C12H19BrN2 — CID 79712299

IUPAC5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline
SMILESCC(C)CN(C)Cc1ccc(Br)cc1N
InChIInChI=1S/C12H19BrN2/c1-9(2)7-15(3)8-10-4-5-11(13)6-12(10)14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyJQWDVHCHFILEEN-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.12
Rot. Bonds4

About 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline

5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline (PubChem CID 79712299) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline
PubChem CID79712299
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline
SMILESCC(C)CN(C)Cc1ccc(Br)cc1N
InChIInChI=1S/C12H19BrN2/c1-9(2)7-15(3)8-10-4-5-11(13)6-12(10)14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyJQWDVHCHFILEEN-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2-amino-4-bromophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914748
5-bromo-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81055796
2-[(2-amino-4-bromophenyl)methyl-methylamino]ethanol
CID 114380401
3-[(2-amino-4-bromophenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 114380436
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766
5-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]aniline
CID 79712715
4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 65343114
3-[(2-amino-4-bromophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 114380423
5-bromo-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 79712993
N'-[(5-bromo-2-methylphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252546
5-bromo-2-[(4-ethyl-N-methylanilino)methyl]aniline
CID 79712794
3-[(4-bromo-2-chlorophenyl)methyl-methylamino]-2-methylpropanethioamide
CID 113470998

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline?
The IUPAC name of 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline (CID 79712299) is 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline.
What is the SMILES notation for 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline?
The canonical SMILES for 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline is CC(C)CN(C)Cc1ccc(Br)cc1N.
What is the InChIKey of 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline?
The InChIKey is JQWDVHCHFILEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-9(2)7-15(3)8-10-4-5-11(13)6-12(10)14/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline?
5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline has a molecular weight of 271.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[methyl(2-methylpropyl)amino]methyl]aniline is sourced from PubChem (CID 79712299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).