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

C12H18BrN — CID 117044248

IUPACN-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCc1ccccc1Br
InChIInChI=1S/C12H18BrN/c1-10(2)14(3)9-8-11-6-4-5-7-12(11)13/h4-7,10H,8-9H2,1-3H3
InChIKeyQWZFBCRXVCVINE-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.33
Rot. Bonds4

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

N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine (PubChem CID 117044248) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
PubChem CID117044248
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC NameN-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCc1ccccc1Br
InChIInChI=1S/C12H18BrN/c1-10(2)14(3)9-8-11-6-4-5-7-12(11)13/h4-7,10H,8-9H2,1-3H3
InChIKeyQWZFBCRXVCVINE-UHFFFAOYSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-[2-(2-bromophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040195
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252622
1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
CID 115235229
2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137658
N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 48945854
1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273
2-[2-(2-bromophenyl)ethyl-methylcarbamoyl]butanoic acid
CID 115186104
(E)-4-[2-(2-bromophenyl)ethyl-methylamino]-4-oxobut-2-enoic acid
CID 115177335
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115206136
1-bromo-2-[2-(3-methylbutoxy)ethyl]benzene
CID 91691606

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine (CID 117044248) is N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine?
The InChIKey is QWZFBCRXVCVINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-10(2)14(3)9-8-11-6-4-5-7-12(11)13/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine?
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine has a molecular weight of 256.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 117044248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).