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

C14H18FN3O — CID 106721217

IUPAC1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1cccc(Cn2cnc(CC(C)N)c2)c1F
InChIInChI=1S/C14H18FN3O/c1-10(16)6-12-8-18(9-17-12)7-11-4-3-5-13(19-2)14(11)15/h3-5,8-10H,6-7,16H2,1-2H3
InChIKeyCAYYLYHSGZYYJN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.97
Rot. Bonds5

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

1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine (PubChem CID 106721217) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
PubChem CID106721217
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCOc1cccc(Cn2cnc(CC(C)N)c2)c1F
InChIInChI=1S/C14H18FN3O/c1-10(16)6-12-8-18(9-17-12)7-11-4-3-5-13(19-2)14(11)15/h3-5,8-10H,6-7,16H2,1-2H3
InChIKeyCAYYLYHSGZYYJN-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721192
1-[1-[2-(2-methoxyphenoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721116
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721184
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 104794838
1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721100
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721091
5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile
CID 106721101
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1-[1-[(2-fluoro-3-nitrophenyl)methyl]imidazol-4-yl]butan-2-amine
CID 107353587
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine (CID 106721217) is 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine is COc1cccc(Cn2cnc(CC(C)N)c2)c1F.
What is the InChIKey of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is CAYYLYHSGZYYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(16)6-12-8-18(9-17-12)7-11-4-3-5-13(19-2)14(11)15/h3-5,8-10H,6-7,16H2,1-2H3.
What are the key properties of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine?
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).