2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine

C17H28BrNO2 — CID 106457166

IUPAC2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine
SMILESCOCCNCC(CCOCC(C)C)c1cccc(Br)c1
InChIInChI=1S/C17H28BrNO2/c1-14(2)13-21-9-7-16(12-19-8-10-20-3)15-5-4-6-17(18)11-15/h4-6,11,14,16,19H,7-10,12-13H2,1-3H3
InChIKeyONMZIQUEVSIXCO-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.83
Rot. Bonds11

About 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine

2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine (PubChem CID 106457166) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine
PubChem CID106457166
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine
SMILESCOCCNCC(CCOCC(C)C)c1cccc(Br)c1
InChIInChI=1S/C17H28BrNO2/c1-14(2)13-21-9-7-16(12-19-8-10-20-3)15-5-4-6-17(18)11-15/h4-6,11,14,16,19H,7-10,12-13H2,1-3H3
InChIKeyONMZIQUEVSIXCO-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.83
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-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
2-(3-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79430248
2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82929807
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 79431151
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457152
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457082
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457134
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine (CID 106457166) is 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine is COCCNCC(CCOCC(C)C)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine?
The InChIKey is ONMZIQUEVSIXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-14(2)13-21-9-7-16(12-19-8-10-20-3)15-5-4-6-17(18)11-15/h4-6,11,14,16,19H,7-10,12-13H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine?
2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine has a molecular weight of 358.32 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-methoxyethyl)-4-(2-methylpropoxy)butan-1-amine is sourced from PubChem (CID 106457166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).