2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine

C12H18BrN — CID 83901309

IUPAC2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine
SMILESCNCCc1cc(Br)ccc1C(C)C
InChIInChI=1S/C12H18BrN/c1-9(2)12-5-4-11(13)8-10(12)6-7-14-3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyONKMKULSGQIFFO-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.33
Rot. Bonds4

About 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine

2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine (PubChem CID 83901309) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine
PubChem CID83901309
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine
SMILESCNCCc1cc(Br)ccc1C(C)C
InChIInChI=1S/C12H18BrN/c1-9(2)12-5-4-11(13)8-10(12)6-7-14-3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyONKMKULSGQIFFO-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 84713316
1-(5-bromo-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 84809083
N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine
CID 81050132
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202149
N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
CID 82648119
[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol
CID 84802533
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine
CID 117294246
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374438
3-(4-bromo-2-ethylphenyl)butanal
CID 117390389

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine (CID 83901309) is 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine is CNCCc1cc(Br)ccc1C(C)C.
What is the InChIKey of 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine?
The InChIKey is ONKMKULSGQIFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-9(2)12-5-4-11(13)8-10(12)6-7-14-3/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine?
2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine has a molecular weight of 256.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine is sourced from PubChem (CID 83901309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).