2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

C15H24BrNO2 — CID 112621624

IUPAC2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESCc1cc(Br)cc(CCN)c1OCCOC(C)(C)C
InChIInChI=1S/C15H24BrNO2/c1-11-9-13(16)10-12(5-6-17)14(11)18-7-8-19-15(2,3)4/h9-10H,5-8,17H2,1-4H3
InChIKeyRYAWJGVBPNLJRX-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.45
Rot. Bonds6

About 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (PubChem CID 112621624) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
PubChem CID112621624
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESCc1cc(Br)cc(CCN)c1OCCOC(C)(C)C
InChIInChI=1S/C15H24BrNO2/c1-11-9-13(16)10-12(5-6-17)14(11)18-7-8-19-15(2,3)4/h9-10H,5-8,17H2,1-4H3
InChIKeyRYAWJGVBPNLJRX-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
2-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]ethanamine
CID 112621647
N-[[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 115961275
5-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]pentanenitrile
CID 112621576
4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide
CID 115962707
2-[5-bromo-2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962661
2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 115962668
2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine
CID 112621644
2-[5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115962640
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-ethylacetamide
CID 112621650
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanoic acid
CID 115962678
2-[5-bromo-3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 115962621

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (CID 112621624) is 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is Cc1cc(Br)cc(CCN)c1OCCOC(C)(C)C.
What is the InChIKey of 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The InChIKey is RYAWJGVBPNLJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-11-9-13(16)10-12(5-6-17)14(11)18-7-8-19-15(2,3)4/h9-10H,5-8,17H2,1-4H3.
What are the key properties of 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine has a molecular weight of 330.27 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 112621624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).