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

C14H18FN3O — CID 107923117

IUPACN-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccc(F)c(OC)c2)[nH]1
InChIInChI=1S/C14H18FN3O/c1-3-6-16-8-11-9-17-14(18-11)10-4-5-12(15)13(7-10)19-2/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyNRIYWCVKGUTTEJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.72
Rot. Bonds6

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

N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine (PubChem CID 107923117) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
PubChem CID107923117
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccc(F)c(OC)c2)[nH]1
InChIInChI=1S/C14H18FN3O/c1-3-6-16-8-11-9-17-14(18-11)10-4-5-12(15)13(7-10)19-2/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyNRIYWCVKGUTTEJ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-bromo-4-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 106951277
N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 106849875
methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate
CID 114016258
N-[[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81285040
N-[[2-[(3,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109166
N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 63108691
N-[[2-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65096062
N-[[2-fluoro-5-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 63428466
2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136889657
2-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 107923253
N-[[2-(2-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109257
N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 82802315

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine (CID 107923117) is N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(-c2ccc(F)c(OC)c2)[nH]1.
What is the InChIKey of N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The InChIKey is NRIYWCVKGUTTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-6-16-8-11-9-17-14(18-11)10-4-5-12(15)13(7-10)19-2/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,17,18).
What are the key properties of N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine has a molecular weight of 263.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 107923117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).