1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine

C14H18FN3O — CID 107695374

IUPAC1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
SMILESCCn1ccnc1COc1ccc(F)cc1CNC
InChIInChI=1S/C14H18FN3O/c1-3-18-7-6-17-14(18)10-19-13-5-4-12(15)8-11(13)9-16-2/h4-8,16H,3,9-10H2,1-2H3
InChIKeyCAOSDUCLVYGVQG-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine

1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine (PubChem CID 107695374) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
PubChem CID107695374
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
SMILESCCn1ccnc1COc1ccc(F)cc1CNC
InChIInChI=1S/C14H18FN3O/c1-3-18-7-6-17-14(18)10-19-13-5-4-12(15)8-11(13)9-16-2/h4-8,16H,3,9-10H2,1-2H3
InChIKeyCAOSDUCLVYGVQG-UHFFFAOYSA-N
XLogP2.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 62736957
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065305
(1R)-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78935716
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664487
N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 62736402
1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608626
1-[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323142
4-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107695260
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
1-(5-fluoro-2-quinolin-8-yloxyphenyl)-N-methylmethanamine
CID 43314311
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine (CID 107695374) is 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine is CCn1ccnc1COc1ccc(F)cc1CNC.
What is the InChIKey of 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is CAOSDUCLVYGVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-18-7-6-17-14(18)10-19-13-5-4-12(15)8-11(13)9-16-2/h4-8,16H,3,9-10H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine?
1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107695374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).