1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine

C15H24BrNO2 — CID 103488796

IUPAC1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OC(C)COCC
InChIInChI=1S/C15H24BrNO2/c1-5-17-12(4)14-8-7-13(16)9-15(14)19-11(3)10-18-6-2/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyAHGFYRBQYZFTLG-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.92
Rot. Bonds8

About 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine

1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine (PubChem CID 103488796) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine
PubChem CID103488796
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OC(C)COCC
InChIInChI=1S/C15H24BrNO2/c1-5-17-12(4)14-8-7-13(16)9-15(14)19-11(3)10-18-6-2/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyAHGFYRBQYZFTLG-UHFFFAOYSA-N
XLogP3.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine
CID 82976432
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
1-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947619
[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine
CID 103486275
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
1-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82955278
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 102947741
1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947651
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
1-[4-bromo-2-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 82954499

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine (CID 103488796) is 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OC(C)COCC.
What is the InChIKey of 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine?
The InChIKey is AHGFYRBQYZFTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-17-12(4)14-8-7-13(16)9-15(14)19-11(3)10-18-6-2/h7-9,11-12,17H,5-6,10H2,1-4H3.
What are the key properties of 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine has a molecular weight of 330.27 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 103488796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).