2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine

C15H20BrN3O — CID 107975481

IUPAC2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)c1cn(C)cn1
InChIInChI=1S/C15H20BrN3O/c1-4-17-14(15-9-19(2)10-18-15)8-11-7-12(20-3)5-6-13(11)16/h5-7,9-10,14,17H,4,8H2,1-3H3
InChIKeyFQPRGGJWWPRUBN-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.08
Rot. Bonds6

About 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine

2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine (PubChem CID 107975481) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
PubChem CID107975481
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)c1cn(C)cn1
InChIInChI=1S/C15H20BrN3O/c1-4-17-14(15-9-19(2)10-18-15)8-11-7-12(20-3)5-6-13(11)16/h5-7,9-10,14,17H,4,8H2,1-3H3
InChIKeyFQPRGGJWWPRUBN-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974435
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878468
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115862379
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107977346
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974369
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine (CID 107975481) is 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine is CCNC(Cc1cc(OC)ccc1Br)c1cn(C)cn1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is FQPRGGJWWPRUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-17-14(15-9-19(2)10-18-15)8-11-7-12(20-3)5-6-13(11)16/h5-7,9-10,14,17H,4,8H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 107975481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).