1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine

C15H24BrNO2 — CID 64533791

IUPAC1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(Cc1cc(Br)ccc1OC)C(C)OCC
InChIInChI=1S/C15H24BrNO2/c1-5-17-14(11(3)19-6-2)10-12-9-13(16)7-8-15(12)18-4/h7-9,11,14,17H,5-6,10H2,1-4H3
InChIKeyNZUJGCJYGOMIGY-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.40
Rot. Bonds8

About 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine

1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine (PubChem CID 64533791) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
PubChem CID64533791
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(Cc1cc(Br)ccc1OC)C(C)OCC
InChIInChI=1S/C15H24BrNO2/c1-5-17-14(11(3)19-6-2)10-12-9-13(16)7-8-15(12)18-4/h7-9,11,14,17H,5-6,10H2,1-4H3
InChIKeyNZUJGCJYGOMIGY-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717971
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
1-(4-bromophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64535614
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66033395
2-(5-bromo-2-methoxyphenyl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 115817184
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530686
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(5-bromo-2-methoxyphenyl)-1-(2-bromophenyl)-N-ethylethanamine
CID 63417209
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535624

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine (CID 64533791) is 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine is CCNC(Cc1cc(Br)ccc1OC)C(C)OCC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine?
The InChIKey is NZUJGCJYGOMIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-17-14(11(3)19-6-2)10-12-9-13(16)7-8-15(12)18-4/h7-9,11,14,17H,5-6,10H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 64533791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).