N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine

C15H20BrN3O — CID 61314643

IUPACN-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Br)c1)c1nccn1CC
InChIInChI=1S/C15H20BrN3O/c1-4-17-14(15-18-8-9-19(15)5-2)11-6-7-13(20-3)12(16)10-11/h6-10,14,17H,4-5H2,1-3H3
InChIKeyXQNWOKWFVDMIKN-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.37
Rot. Bonds6

About N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine

N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine (PubChem CID 61314643) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
PubChem CID61314643
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Br)c1)c1nccn1CC
InChIInChI=1S/C15H20BrN3O/c1-4-17-14(15-18-8-9-19(15)5-2)11-6-7-13(20-3)12(16)10-11/h6-10,14,17H,4-5H2,1-3H3
InChIKeyXQNWOKWFVDMIKN-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
N-[(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 81289391
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
[(3-bromo-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105308418
4-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149884
N-[(3-bromo-4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212535
3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149849
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189
N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55240315
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 43487810
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446581

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine (CID 61314643) is N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine is CCNC(c1ccc(OC)c(Br)c1)c1nccn1CC.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is XQNWOKWFVDMIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-17-14(15-18-8-9-19(15)5-2)11-6-7-13(20-3)12(16)10-11/h6-10,14,17H,4-5H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61314643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).