1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine

C15H24BrNO3 — CID 103523448

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1ccc(OC)c(Br)c1OC)C(C)(C)OC
InChIInChI=1S/C15H24BrNO3/c1-7-17-14(15(2,3)20-6)10-8-9-11(18-4)12(16)13(10)19-5/h8-9,14,17H,7H2,1-6H3
InChIKeyHIEWGJUZQDJYHI-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.54
Rot. Bonds7

About 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine

1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine (PubChem CID 103523448) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
PubChem CID103523448
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1ccc(OC)c(Br)c1OC)C(C)(C)OC
InChIInChI=1S/C15H24BrNO3/c1-7-17-14(15(2,3)20-6)10-8-9-11(18-4)12(16)13(10)19-5/h8-9,14,17H,7H2,1-6H3
InChIKeyHIEWGJUZQDJYHI-UHFFFAOYSA-N
XLogP3.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 103523415
1-(3-bromo-2,4-dimethoxyphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 103523425
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 103523550
N-[(3-bromo-2,4-dimethoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 103523310
N-[(3-bromo-2,4-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 103524511
N-[(3-bromo-2,4-dimethoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 103524505
N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 103523411
1-(3-bromo-2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547345
N-[(3-bromo-2,4-dimethoxyphenyl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 103523466
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
1-(3-bromo-2,4-dimethoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103523429
1-(3-bromo-2,4-dimethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 103523440

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine (CID 103523448) is 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine is CCNC(c1ccc(OC)c(Br)c1OC)C(C)(C)OC.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
The InChIKey is HIEWGJUZQDJYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-7-17-14(15(2,3)20-6)10-8-9-11(18-4)12(16)13(10)19-5/h8-9,14,17H,7H2,1-6H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine?
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine has a molecular weight of 346.27 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 103523448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).