N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine

C15H20FN3O — CID 104794217

IUPACN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1nccn1C
InChIInChI=1S/C15H20FN3O/c1-4-17-12(15-18-8-9-19(15)2)10-11-6-5-7-13(20-3)14(11)16/h5-9,12,17H,4,10H2,1-3H3
InChIKeyTYUBVNXVGXGXJO-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.46
Rot. Bonds6

About N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine

N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 104794217) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID104794217
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1cccc(OC)c1F)c1nccn1C
InChIInChI=1S/C15H20FN3O/c1-4-17-12(15-18-8-9-19(15)2)10-11-6-5-7-13(20-3)14(11)16/h5-9,12,17H,4,10H2,1-3H3
InChIKeyTYUBVNXVGXGXJO-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 104794216
2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 113453816
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 104793780
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63974743
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794282
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
CID 63976652
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 82811959
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine (CID 104794217) is N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine is CCNC(Cc1cccc(OC)c1F)c1nccn1C.
What is the InChIKey of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is TYUBVNXVGXGXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-17-12(15-18-8-9-19(15)2)10-11-6-5-7-13(20-3)14(11)16/h5-9,12,17H,4,10H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine?
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 104794217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).