2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine

C15H22BrNO2 — CID 62107604

IUPAC2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c1-2-17-10-15(13-7-3-4-8-14(13)16)19-11-12-6-5-9-18-12/h3-4,7-8,12,15,17H,2,5-6,9-11H2,1H3
InChIKeyNVOUIOVGQJSJNV-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.30
Rot. Bonds7

About 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine

2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine (PubChem CID 62107604) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
PubChem CID62107604
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c1-2-17-10-15(13-7-3-4-8-14(13)16)19-11-12-6-5-9-18-12/h3-4,7-8,12,15,17H,2,5-6,9-11H2,1H3
InChIKeyNVOUIOVGQJSJNV-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62108277
2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
CID 62106135
2-(2-bromophenyl)-N-ethyl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62108481
2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane
CID 62107975
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771
2-[(2-bromophenyl)methyl]-N-ethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165923
2-(2-bromophenyl)-2-[(4-chlorophenyl)methoxy]-N-ethylethanamine
CID 65124744
N-[2-(2-bromophenyl)-2-(cyclohexylmethoxy)ethyl]propan-2-amine
CID 63474322
N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62382212
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107945

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine (CID 62107604) is 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine is CCNCC(OCC1CCCO1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine?
The InChIKey is NVOUIOVGQJSJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-2-17-10-15(13-7-3-4-8-14(13)16)19-11-12-6-5-9-18-12/h3-4,7-8,12,15,17H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine?
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 62107604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).