2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine

C17H20BrNO — CID 115962662

IUPAC2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine
SMILESCc1cc(Br)cc(CCN)c1OC(C)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-12-10-16(18)11-15(8-9-19)17(12)20-13(2)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,19H2,1-2H3
InChIKeyLMVGPKPMAIYQDF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.40
Rot. Bonds5

About 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine

2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine (PubChem CID 115962662) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine
PubChem CID115962662
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine
SMILESCc1cc(Br)cc(CCN)c1OC(C)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-12-10-16(18)11-15(8-9-19)17(12)20-13(2)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,19H2,1-2H3
InChIKeyLMVGPKPMAIYQDF-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]methyl]ethanamine
CID 115961171
2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine
CID 112621644
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanoic acid
CID 115962678
2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107885585
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanenitrile
CID 112621566
2-[[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]methyl]benzonitrile
CID 115962742
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661
2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112621624
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
5-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]pentanenitrile
CID 112621576
2,3-dimethyl-9,10-bis(1-phenylethoxy)anthracene
CID 23450424

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine (CID 115962662) is 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine is Cc1cc(Br)cc(CCN)c1OC(C)c1ccccc1.
What is the InChIKey of 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine?
The InChIKey is LMVGPKPMAIYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-10-16(18)11-15(8-9-19)17(12)20-13(2)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,19H2,1-2H3.
What are the key properties of 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine?
2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 115962662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).