2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine

C14H18FN3O — CID 95469453

IUPAC2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine
SMILESCOc1ccc(F)cc1Cc1nc(CCN)cn1C
InChIInChI=1S/C14H18FN3O/c1-18-9-12(5-6-16)17-14(18)8-10-7-11(15)3-4-13(10)19-2/h3-4,7,9H,5-6,8,16H2,1-2H3
InChIKeyFWNCJAQRCCLPCS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.66
Rot. Bonds5

About 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine

2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine (PubChem CID 95469453) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine
PubChem CID95469453
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine
SMILESCOc1ccc(F)cc1Cc1nc(CCN)cn1C
InChIInChI=1S/C14H18FN3O/c1-18-9-12(5-6-16)17-14(18)8-10-7-11(15)3-4-13(10)19-2/h3-4,7,9H,5-6,8,16H2,1-2H3
InChIKeyFWNCJAQRCCLPCS-UHFFFAOYSA-N
XLogP1.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(5-fluoro-2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 96663708
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
2-[1-methyl-2-[(2-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 82288535
[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine
CID 95467379
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95466296
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665640
[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 55029615
2-[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 107700337
2-[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]ethanamine
CID 44590694
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine (CID 95469453) is 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine is COc1ccc(F)cc1Cc1nc(CCN)cn1C.
What is the InChIKey of 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine?
The InChIKey is FWNCJAQRCCLPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-18-9-12(5-6-16)17-14(18)8-10-7-11(15)3-4-13(10)19-2/h3-4,7,9H,5-6,8,16H2,1-2H3.
What are the key properties of 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine?
2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine is sourced from PubChem (CID 95469453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).