1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine

C13H20BrN — CID 107984953

IUPAC1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cccc(C)c1Br)C(C)(C)C
InChIInChI=1S/C13H20BrN/c1-9-7-6-8-10(11(9)14)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3
InChIKeyIKGLEWNQGUBYFZ-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.06
Rot. Bonds2

About 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine

1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 107984953) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID107984953
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cccc(C)c1Br)C(C)(C)C
InChIInChI=1S/C13H20BrN/c1-9-7-6-8-10(11(9)14)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3
InChIKeyIKGLEWNQGUBYFZ-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-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

1-(2-bromo-3-methylphenyl)-N-methylprop-2-yn-1-amine
CID 107985101
1-(2-bromo-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 107985164
1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107981867
1-(2-bromo-3-methylphenyl)-N,3-dimethylbut-2-en-1-amine
CID 107985160
1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854285
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
1-(2-bromo-3-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 107984697
[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 107986010
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114024192
N,2,2-trimethyl-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 66271629
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine (CID 107984953) is 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine is CNC(c1cccc(C)c1Br)C(C)(C)C.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is IKGLEWNQGUBYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-9-7-6-8-10(11(9)14)12(15-5)13(2,3)4/h6-8,12,15H,1-5H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine?
1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 107984953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).