2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C17H26BrNO — CID 65155889

IUPAC2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H26BrNO/c1-5-19-16(10-14-7-6-8-15(18)9-14)17-11(2)12(3)20-13(17)4/h6-9,11-13,16-17,19H,5,10H2,1-4H3
InChIKeyUNEHQASOWLGZQP-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.03
Rot. Bonds5

About 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 65155889) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID65155889
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)C1C(C)OC(C)C1C
InChIInChI=1S/C17H26BrNO/c1-5-19-16(10-14-7-6-8-15(18)9-14)17-11(2)12(3)20-13(17)4/h6-9,11-13,16-17,19H,5,10H2,1-4H3
InChIKeyUNEHQASOWLGZQP-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159640
N-[2-(5-bromo-3-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105036896
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105015421
2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093554
2-(3-bromophenyl)-1-(1,1-dioxothian-2-yl)-N-ethylethanamine
CID 104519934
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715692
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
[2-(4-bromo-2-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105297482
1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
CID 115788902
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 63413718

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 65155889) is 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CCNC(Cc1cccc(Br)c1)C1C(C)OC(C)C1C.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is UNEHQASOWLGZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-5-19-16(10-14-7-6-8-15(18)9-14)17-11(2)12(3)20-13(17)4/h6-9,11-13,16-17,19H,5,10H2,1-4H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 65155889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).