2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine

C14H22BrNO2 — CID 62106282

IUPAC2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
SMILESCCNCC(OCCCOC)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO2/c1-3-16-11-14(18-10-4-9-17-2)12-5-7-13(15)8-6-12/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyMGHNFXWZWYOAAB-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.15
Rot. Bonds9

About 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine

2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine (PubChem CID 62106282) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
PubChem CID62106282
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
SMILESCCNCC(OCCCOC)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO2/c1-3-16-11-14(18-10-4-9-17-2)12-5-7-13(15)8-6-12/h5-8,14,16H,3-4,9-11H2,1-2H3
InChIKeyMGHNFXWZWYOAAB-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.15
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-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
CID 62106452
N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine
CID 103180425
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
2-[(4-bromophenyl)methoxy]-2-(4-chlorophenyl)-N-ethylethanamine
CID 82806329
N-ethyl-2-(4-methoxyphenyl)-2-propoxyethanamine
CID 55036698
2-(4-bromophenyl)-N-methyl-2-octoxyethanamine
CID 63476270
2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62107169
2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
CID 55036521
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206
N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine
CID 62107398

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine (CID 62106282) is 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine is CCNCC(OCCCOC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine?
The InChIKey is MGHNFXWZWYOAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-3-16-11-14(18-10-4-9-17-2)12-5-7-13(15)8-6-12/h5-8,14,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine?
2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine has a molecular weight of 316.24 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine is sourced from PubChem (CID 62106282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).