5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline

C13H19Br2N — CID 107080465

IUPAC5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1cc(Br)ccc1CBr
InChIInChI=1S/C13H19Br2N/c1-4-5-10(2)16(3)13-8-12(15)7-6-11(13)9-14/h6-8,10H,4-5,9H2,1-3H3
InChIKeyVRNZLYJXUOXZMQ-UHFFFAOYSA-N
MW349.11 g/mol
LogP4.97
Rot. Bonds5

About 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline

5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline (PubChem CID 107080465) has the molecular formula C13H19Br2N and a molecular weight of 349.11 g/mol. Its IUPAC name is 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline.

Molecular Properties

Compound Name5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline
PubChem CID107080465
Molecular FormulaC13H19Br2N
Molecular Weight349.11 g/mol
Exact Mass346.99
IUPAC Name5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1cc(Br)ccc1CBr
InChIInChI=1S/C13H19Br2N/c1-4-5-10(2)16(3)13-8-12(15)7-6-11(13)9-14/h6-8,10H,4-5,9H2,1-3H3
InChIKeyVRNZLYJXUOXZMQ-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[5-bromo-N-methyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 104552856
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
CID 43281950
2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039939
5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 107081552
[4-chloro-2-[methyl(pentan-2-yl)amino]phenyl]methanol
CID 114845260
3-N-(5-bromo-2-methoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 117040232
4-(bromomethyl)-N-methyl-N-pentan-2-yl-2-(trifluoromethyl)aniline
CID 107080462
5-bromo-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 63568192
5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline
CID 43571422
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 107082009

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline?
The IUPAC name of 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline (CID 107080465) is 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline.
What is the SMILES notation for 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline?
The canonical SMILES for 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline is CCCC(C)N(C)c1cc(Br)ccc1CBr.
What is the InChIKey of 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline?
The InChIKey is VRNZLYJXUOXZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2N/c1-4-5-10(2)16(3)13-8-12(15)7-6-11(13)9-14/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline?
5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline has a molecular weight of 349.11 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline is sourced from PubChem (CID 107080465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).