N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine

C14H22BrN — CID 115262574

IUPACN-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(C)(C)CNCBr)cc1C
InChIInChI=1S/C14H22BrN/c1-10-6-12(3)13(7-11(10)2)14(4,5)8-16-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeyCBOVTGFROSKGJY-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.83
Rot. Bonds4

About N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine

N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine (PubChem CID 115262574) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
PubChem CID115262574
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(C)(C)CNCBr)cc1C
InChIInChI=1S/C14H22BrN/c1-10-6-12(3)13(7-11(10)2)14(4,5)8-16-9-15/h6-7,16H,8-9H2,1-5H3
InChIKeyCBOVTGFROSKGJY-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'}

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Related Compounds

N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
N-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
CID 115226401
N-(bromomethyl)-2-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
CID 115262635
N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115206175
N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196189
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115195619
N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 115262537
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
CID 80502709

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine?
The IUPAC name of N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine (CID 115262574) is N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine is Cc1cc(C)c(C(C)(C)CNCBr)cc1C.
What is the InChIKey of N-(bromomethyl)-2-methyl-2-(2,4,5-trimethylphenyl)propan-1-amine?
The InChIKey is CBOVTGFROSKGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-10-6-12(3)13(7-11(10)2)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-(2,4,5-trimethylphenyl)propan-1-amine?
N-(bromomethyl)-2-methyl-2-(2,4,5-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-(2,4,5-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 115262574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).