2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine

C14H18FN3O — CID 95469456

IUPAC2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCCOc1ccc(-c2cnc(CCNC)[nH]2)cc1F
InChIInChI=1S/C14H18FN3O/c1-3-19-13-5-4-10(8-11(13)15)12-9-17-14(18-12)6-7-16-2/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyRCBZHIVHIWZZGI-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.38
Rot. Bonds6

About 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine

2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine (PubChem CID 95469456) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine
PubChem CID95469456
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCCOc1ccc(-c2cnc(CCNC)[nH]2)cc1F
InChIInChI=1S/C14H18FN3O/c1-3-19-13-5-4-10(8-11(13)15)12-9-17-14(18-12)6-7-16-2/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyRCBZHIVHIWZZGI-UHFFFAOYSA-N
XLogP2.38
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 82290112
5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 63956925
6-(4-ethoxy-3-fluorophenyl)-1H-pyridin-2-one
CID 122358370
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814
3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95466155
2-[3-(4-ethoxy-3-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96663706

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine (CID 95469456) is 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine is CCOc1ccc(-c2cnc(CCNC)[nH]2)cc1F.
What is the InChIKey of 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The InChIKey is RCBZHIVHIWZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-19-13-5-4-10(8-11(13)15)12-9-17-14(18-12)6-7-16-2/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine?
2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 95469456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).