N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine

C14H18FN3O2 — CID 63956925

IUPACN-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(-c2ccc(OC)c(F)c2)[nH]1
InChIInChI=1S/C14H18FN3O2/c1-19-6-5-16-9-14-17-8-12(18-14)10-3-4-13(20-2)11(15)7-10/h3-4,7-8,16H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyNHLBNBNCFGKKOW-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.96
Rot. Bonds7

About N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine

N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 63956925) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID63956925
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(-c2ccc(OC)c(F)c2)[nH]1
InChIInChI=1S/C14H18FN3O2/c1-19-6-5-16-9-14-17-8-12(18-14)10-3-4-13(20-2)11(15)7-10/h3-4,7-8,16H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyNHLBNBNCFGKKOW-UHFFFAOYSA-N
XLogP1.96
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

2-methoxy-N-[(5-naphthalen-2-yl-1H-imidazol-2-yl)methyl]ethanamine
CID 63954680
2-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]ethanamine
CID 63954276
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95469456
2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65233281
1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95466155
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
N-[[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79485108
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
N-[[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851239
cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 67214797

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine (CID 63956925) is N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1ncc(-c2ccc(OC)c(F)c2)[nH]1.
What is the InChIKey of N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is NHLBNBNCFGKKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-19-6-5-16-9-14-17-8-12(18-14)10-3-4-13(20-2)11(15)7-10/h3-4,7-8,16H,5-6,9H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 279.31 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63956925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).