N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine

C16H26BrNO2 — CID 62108632

IUPACN-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
SMILESCCOCCOC(CNC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C16H26BrNO2/c1-5-19-10-11-20-15(12-18-16(2,3)4)13-8-6-7-9-14(13)17/h6-9,15,18H,5,10-12H2,1-4H3
InChIKeyCCFIIJFRNIOGEK-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.93
Rot. Bonds8

About N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine

N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 62108632) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
PubChem CID62108632
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC NameN-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
SMILESCCOCCOC(CNC(C)(C)C)c1ccccc1Br
InChIInChI=1S/C16H26BrNO2/c1-5-19-10-11-20-15(12-18-16(2,3)4)13-8-6-7-9-14(13)17/h6-9,15,18H,5,10-12H2,1-4H3
InChIKeyCCFIIJFRNIOGEK-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.93
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

N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369
N-[2-(2-fluorophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63685998
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481
N-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
2-(2-bromophenyl)-N-tert-butyl-4-propoxybutan-1-amine
CID 106457208
N-[2-(4-bromophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63686186
2-(2-bromophenyl)-N-tert-butyl-4-(2-methoxyethoxy)butan-1-amine
CID 79436354
1-bromo-2-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
CID 62106912
N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 62109223
2-(2-ethoxyethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 62105959

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine (CID 62108632) is N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine is CCOCCOC(CNC(C)(C)C)c1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is CCFIIJFRNIOGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-5-19-10-11-20-15(12-18-16(2,3)4)13-8-6-7-9-14(13)17/h6-9,15,18H,5,10-12H2,1-4H3.
What are the key properties of N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 344.29 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62108632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).