N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine

C11H15BrClN — CID 75361237

IUPACN-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClN/c1-11(2,3)14-7-8-4-5-9(13)6-10(8)12/h4-6,14H,7H2,1-3H3
InChIKeyDFSHDMHDBDMGSM-UHFFFAOYSA-N
MW276.61 g/mol
LogP3.99
Rot. Bonds2

About N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine

N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 75361237) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
PubChem CID75361237
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC NameN-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClN/c1-11(2,3)14-7-8-4-5-9(13)6-10(8)12/h4-6,14H,7H2,1-3H3
InChIKeyDFSHDMHDBDMGSM-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-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-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460580
1-N-[(2-bromo-4-chlorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 81494425
N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323963
4-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107788034
2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine
CID 112749950
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 81495683
1-(2-bromo-4-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103816329
N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
CID 114855696
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine (CID 75361237) is N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Cl)cc1Br.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is DFSHDMHDBDMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-11(2,3)14-7-8-4-5-9(13)6-10(8)12/h4-6,14H,7H2,1-3H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine?
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 276.61 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 75361237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).