N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine

C11H16BrN — CID 11276546

IUPACN-[(2-bromophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-11(2,3)13-8-9-6-4-5-7-10(9)12/h4-7,13H,8H2,1-3H3
InChIKeyMPQADHAGNPRINL-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.34
Rot. Bonds2

About N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine

N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 11276546) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-methylpropan-2-amine
PubChem CID11276546
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC NameN-[(2-bromophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-11(2,3)13-8-9-6-4-5-7-10(9)12/h4-7,13H,8H2,1-3H3
InChIKeyMPQADHAGNPRINL-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bretylium
CID 2431
N-(1,1-Dimethylethyl)benzenemethanamine
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N-Butylbenzylamine
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2-Bromobenzylamine
CID 334072
2-Bromo-N-methylbenzylamine
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2-(2-bromophenyl)-N-methylethanamine
CID 11964124
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
[2-(4-Bromophenyl)ethyl](methyl)amine
CID 18367556
Benzenemethanamine, 3-bromo-N-methyl-
CID 457588
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
1-(2-Bromophenyl)methanamine hydrochloride
CID 2724202

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine (CID 11276546) is N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is MPQADHAGNPRINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-11(2,3)13-8-9-6-4-5-7-10(9)12/h4-7,13H,8H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine?
N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 11276546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).