2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine

C15H22BrNO2 — CID 55036296

IUPAC2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCOC1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-2-17-9-15(13-4-3-5-14(16)8-13)19-11-12-6-7-18-10-12/h3-5,8,12,15,17H,2,6-7,9-11H2,1H3
InChIKeyIYVYZLQAUJYTRJ-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.15
Rot. Bonds7

About 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine

2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine (PubChem CID 55036296) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
PubChem CID55036296
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCOC1)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-2-17-9-15(13-4-3-5-14(16)8-13)19-11-12-6-7-18-10-12/h3-5,8,12,15,17H,2,6-7,9-11H2,1H3
InChIKeyIYVYZLQAUJYTRJ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromophenyl)-2-(oxolan-3-ylmethoxy)ethyl]propan-2-amine
CID 62110909
N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111410
2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 62107996
N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111411
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 82805323
2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 62108729
N-ethyl-3-methyl-2-(oxolan-3-ylmethoxy)butan-1-amine
CID 62485416
1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
CID 113424548
N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62382212
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine (CID 55036296) is 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine is CCNCC(OCC1CCOC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine?
The InChIKey is IYVYZLQAUJYTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-2-17-9-15(13-4-3-5-14(16)8-13)19-11-12-6-7-18-10-12/h3-5,8,12,15,17H,2,6-7,9-11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine?
2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-2-(oxolan-3-ylmethoxy)ethanamine is sourced from PubChem (CID 55036296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).