N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine

C14H18FN3O — CID 63070747

IUPACN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-n2ccnc2C)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-11-17-5-7-18(11)14-4-3-12(9-13(14)15)10-16-6-8-19-2/h3-5,7,9,16H,6,8,10H2,1-2H3
InChIKeyFPPKMTLDSRYARR-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.06
Rot. Bonds6

About N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63070747) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63070747
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-n2ccnc2C)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-11-17-5-7-18(11)14-4-3-12(9-13(14)15)10-16-6-8-19-2/h3-5,7,9,16H,6,8,10H2,1-2H3
InChIKeyFPPKMTLDSRYARR-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 1265319
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(E)-1-N-(3-imidazol-1-ylpropyl)-2-nitro-1-N'-[4-(trifluoromethyl)phenyl]ethene-1,1-diamine
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US9725436, Entry 14
CID 121481880
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CID 4616323
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1-[3-(1H-imidazol-1-yl)propyl]-3-(4-methylphenyl)thiourea
CID 2929274
1-(2-Methoxy-ethyl)-5-phenyl-1H-imidazol-2-ylamine
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CID 6061337

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine (CID 63070747) is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(-n2ccnc2C)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is FPPKMTLDSRYARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-11-17-5-7-18(11)14-4-3-12(9-13(14)15)10-16-6-8-19-2/h3-5,7,9,16H,6,8,10H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63070747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).