1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine

C14H22BrNO3 — CID 103523415

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H22BrNO3/c1-5-16-11(9-19-6-2)10-7-8-12(17-3)13(15)14(10)18-4/h7-8,11,16H,5-6,9H2,1-4H3
InChIKeyYZQHZPKTBFQDGG-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.15
Rot. Bonds8

About 1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine

1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine (PubChem CID 103523415) has the molecular formula C14H22BrNO3 and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine
PubChem CID103523415
Molecular FormulaC14H22BrNO3
Molecular Weight332.24 g/mol
Exact Mass331.08
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C14H22BrNO3/c1-5-16-11(9-19-6-2)10-7-8-12(17-3)13(15)14(10)18-4/h7-8,11,16H,5-6,9H2,1-4H3
InChIKeyYZQHZPKTBFQDGG-UHFFFAOYSA-N
XLogP3.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propoxyethyl]propan-1-amine
CID 103523326
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 103523550
1-(3-bromo-2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547345
2-ethoxy-N-methyl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 105008034
N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 103524430
1-(3-bromo-2,4-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 103523448
1-(3-bromo-2,4-dimethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 103523440
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008231
1-(2-bromofuran-3-yl)-2-ethoxy-N-ethylethanamine
CID 106858103
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine (CID 103523415) is 1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is YZQHZPKTBFQDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3/c1-5-16-11(9-19-6-2)10-7-8-12(17-3)13(15)14(10)18-4/h7-8,11,16H,5-6,9H2,1-4H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine?
1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 332.24 g/mol, XLogP of 3.15, 8 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)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 103523415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).