N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine

C14H18FN3O — CID 106579930

IUPACN-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine
SMILESCCOc1ccc(Nc2nccn2C(C)C)cc1F
InChIInChI=1S/C14H18FN3O/c1-4-19-13-6-5-11(9-12(13)15)17-14-16-7-8-18(14)10(2)3/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyMHDLHGYTNKCXIB-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.75
Rot. Bonds5

About N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine

N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106579930) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106579930
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine
SMILESCCOc1ccc(Nc2nccn2C(C)C)cc1F
InChIInChI=1S/C14H18FN3O/c1-4-19-13-6-5-11(9-12(13)15)17-14-16-7-8-18(14)10(2)3/h5-10H,4H2,1-3H3,(H,16,17)
InChIKeyMHDLHGYTNKCXIB-UHFFFAOYSA-N
XLogP3.75
TPSA39.08 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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106555751
N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106573915
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 114250857
N-(3,4-dimethylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106560254
N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106579931
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine (CID 106579930) is N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine is CCOc1ccc(Nc2nccn2C(C)C)cc1F.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is MHDLHGYTNKCXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-19-13-6-5-11(9-12(13)15)17-14-16-7-8-18(14)10(2)3/h5-10H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine?
N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 263.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106579930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).