2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

C14H22BrNO2 — CID 112587184

IUPAC2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCC(C)(C)OCCOC(CN)c1ccccc1Br
InChIInChI=1S/C14H22BrNO2/c1-14(2,3)18-9-8-17-13(10-16)11-6-4-5-7-12(11)15/h4-7,13H,8-10,16H2,1-3H3
InChIKeyYPSQUNGIKAHZMV-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (PubChem CID 112587184) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
PubChem CID112587184
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCC(C)(C)OCCOC(CN)c1ccccc1Br
InChIInChI=1S/C14H22BrNO2/c1-14(2,3)18-9-8-17-13(10-16)11-6-4-5-7-12(11)15/h4-7,13H,8-10,16H2,1-3H3
InChIKeyYPSQUNGIKAHZMV-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-2-heptoxyethanamine
CID 63459548
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 114157313
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401
2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82004824
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine
CID 112587173
1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene
CID 112589307
2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587194
2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine
CID 55191674
1-bromo-2-[1-(3,3-dimethylbutoxy)-2-iodoethyl]benzene
CID 114774524
1-bromo-2-[2-iodo-1-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 114772198
N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108632

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (CID 112587184) is 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is CC(C)(C)OCCOC(CN)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The InChIKey is YPSQUNGIKAHZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-14(2,3)18-9-8-17-13(10-16)11-6-4-5-7-12(11)15/h4-7,13H,8-10,16H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine has a molecular weight of 316.24 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is sourced from PubChem (CID 112587184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).