N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine

C17H28BrNO — CID 63475206

IUPACN-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
SMILESCCCCCOC(CNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-5-6-7-12-20-16(13-19-17(2,3)4)14-8-10-15(18)11-9-14/h8-11,16,19H,5-7,12-13H2,1-4H3
InChIKeyMWTIXYIJSOKPLM-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.09
Rot. Bonds8

About N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine

N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine (PubChem CID 63475206) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
PubChem CID63475206
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC NameN-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
SMILESCCCCCOC(CNC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-5-6-7-12-20-16(13-19-17(2,3)4)14-8-10-15(18)11-9-14/h8-11,16,19H,5-7,12-13H2,1-4H3
InChIKeyMWTIXYIJSOKPLM-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63686186
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369
2-(4-bromophenyl)-N-methyl-2-octoxyethanamine
CID 63476270
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62107147
2-(4-bromophenyl)-2-heptoxyethanamine
CID 63459731
N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 62109223
N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine
CID 66322694
N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108054
2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine
CID 62110378
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62107518

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine (CID 63475206) is N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine is CCCCCOC(CNC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine?
The InChIKey is MWTIXYIJSOKPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-5-6-7-12-20-16(13-19-17(2,3)4)14-8-10-15(18)11-9-14/h8-11,16,19H,5-7,12-13H2,1-4H3.
What are the key properties of N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine?
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine has a molecular weight of 342.32 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63475206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).