N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine

C14H22BrN — CID 115262537

IUPACN-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(C)(C)CNCBr)c(C)c1
InChIInChI=1S/C14H22BrN/c1-10-6-11(2)13(12(3)7-10)14(4,5)8-16-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeySOTZELJTJKWADC-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.83
Rot. Bonds4

About N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine

N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 115262537) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID115262537
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(C)(C)CNCBr)c(C)c1
InChIInChI=1S/C14H22BrN/c1-10-6-11(2)13(12(3)7-10)14(4,5)8-16-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeySOTZELJTJKWADC-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]methanediamine
CID 115226366
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
CID 115136351
N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196167
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
CID 115235277
N-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506
N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
CID 115262574
N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamoyl bromide
CID 115194226
[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394
[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
CID 115229682
N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine
CID 115262572
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
N-(bromomethyl)-2-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
CID 115262635

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine (CID 115262537) is N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine is Cc1cc(C)c(C(C)(C)CNCBr)c(C)c1.
What is the InChIKey of N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is SOTZELJTJKWADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-10-6-11(2)13(12(3)7-10)14(4,5)8-16-9-15/h6-7,16H,8-9H2,1-5H3.
What are the key properties of N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine?
N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 115262537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).