2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine

C13H16FN3O — CID 114706711

IUPAC2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine
SMILESCOc1ccc(F)c(-n2cncc2C(C)(C)N)c1
InChIInChI=1S/C13H16FN3O/c1-13(2,15)12-7-16-8-17(12)11-6-9(18-3)4-5-10(11)14/h4-8H,15H2,1-3H3
InChIKeyMYVFHQGGUXDWNQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.21
Rot. Bonds3

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

2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine (PubChem CID 114706711) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine
PubChem CID114706711
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine
SMILESCOc1ccc(F)c(-n2cncc2C(C)(C)N)c1
InChIInChI=1S/C13H16FN3O/c1-13(2,15)12-7-16-8-17(12)11-6-9(18-3)4-5-10(11)14/h4-8H,15H2,1-3H3
InChIKeyMYVFHQGGUXDWNQ-UHFFFAOYSA-N
XLogP2.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]propan-2-amine
CID 114707634
2-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114705714
1-(2-fluoro-5-methoxyphenyl)imidazol-2-amine
CID 106576957
2-[3-(2,5-dibromophenyl)imidazol-4-yl]propan-2-amine
CID 114704943
1-(2-fluoro-5-methoxyphenyl)-4-methylimidazol-2-amine
CID 106577006
2-(3-pyridin-4-ylimidazol-4-yl)propan-2-amine
CID 114703697
2-[3-(4-propoxyphenyl)imidazol-4-yl]propan-2-amine
CID 114705530
1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106576999
N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114708258
8-methoxy-4,5-dihydroimidazo[1,5-a]quinoxaline
CID 96619751
4-tert-butyl-3-(2-fluoro-5-methoxyphenyl)-1H-imidazole-2-thione
CID 81335121
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
CID 114703974

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine (CID 114706711) is 2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine is COc1ccc(F)c(-n2cncc2C(C)(C)N)c1.
What is the InChIKey of 2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine?
The InChIKey is MYVFHQGGUXDWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-13(2,15)12-7-16-8-17(12)11-6-9(18-3)4-5-10(11)14/h4-8H,15H2,1-3H3.
What are the key properties of 2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine?
2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine has a molecular weight of 249.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-5-methoxyphenyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114706711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).