N-(bromomethyl)-N-methylnaphthalen-1-amine

C12H12BrN — CID 115261813

IUPACN-(bromomethyl)-N-methylnaphthalen-1-amine
SMILESCN(CBr)c1cccc2ccccc12
InChIInChI=1S/C12H12BrN/c1-14(9-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKeyCAEXGFFETKIYOE-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.63
Rot. Bonds2

About N-(bromomethyl)-N-methylnaphthalen-1-amine

N-(bromomethyl)-N-methylnaphthalen-1-amine (PubChem CID 115261813) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is N-(bromomethyl)-N-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-N-methylnaphthalen-1-amine
PubChem CID115261813
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC NameN-(bromomethyl)-N-methylnaphthalen-1-amine
SMILESCN(CBr)c1cccc2ccccc12
InChIInChI=1S/C12H12BrN/c1-14(9-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKeyCAEXGFFETKIYOE-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888
3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
[methyl(naphthalen-1-yl)amino]methylphosphonic acid
CID 19024142
N-[(4-aminophenyl)methyl]-N-methylnaphthalen-1-amine
CID 115212453
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine
CID 115214014
N-ethenyl-N-methylnaphthalen-1-amine
CID 70602093
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
N-diaminophosphinothioyl-N-methylnaphthalen-1-amine
CID 56607870
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
N-(2,6-dimethylphenyl)-N-methylnaphthalen-1-amine
CID 163438414

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-N-methylnaphthalen-1-amine?
The IUPAC name of N-(bromomethyl)-N-methylnaphthalen-1-amine (CID 115261813) is N-(bromomethyl)-N-methylnaphthalen-1-amine.
What is the SMILES notation for N-(bromomethyl)-N-methylnaphthalen-1-amine?
The canonical SMILES for N-(bromomethyl)-N-methylnaphthalen-1-amine is CN(CBr)c1cccc2ccccc12.
What is the InChIKey of N-(bromomethyl)-N-methylnaphthalen-1-amine?
The InChIKey is CAEXGFFETKIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-14(9-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3.
What are the key properties of N-(bromomethyl)-N-methylnaphthalen-1-amine?
N-(bromomethyl)-N-methylnaphthalen-1-amine has a molecular weight of 250.14 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-N-methylnaphthalen-1-amine is sourced from PubChem (CID 115261813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).