1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine

C12H18BrNO — CID 61389671

IUPAC1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCC(C)C
InChIInChI=1S/C12H18BrNO/c1-9(2)8-15-12-10(7-14-3)5-4-6-11(12)13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyYAMBAVHMPDMAOO-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.20
Rot. Bonds5

About 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine

1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine (PubChem CID 61389671) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
PubChem CID61389671
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Br)c1OCC(C)C
InChIInChI=1S/C12H18BrNO/c1-9(2)8-15-12-10(7-14-3)5-4-6-11(12)13/h4-6,9,14H,7-8H2,1-3H3
InChIKeyYAMBAVHMPDMAOO-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
CID 61390227
[3-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 61389777
1-(3-bromo-2-prop-2-enoxyphenyl)-N-methylmethanamine
CID 61390299
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
5-[2-bromo-6-(methylaminomethyl)phenoxy]pentanenitrile
CID 54966211
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61389630
1-[3-bromo-2-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66046621
2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 61390167
1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61390155
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 61390154
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 61390284
1-[3-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 103133008

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine (CID 61389671) is 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Br)c1OCC(C)C.
What is the InChIKey of 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine?
The InChIKey is YAMBAVHMPDMAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9(2)8-15-12-10(7-14-3)5-4-6-11(12)13/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine?
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine has a molecular weight of 272.19 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61389671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).