N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine

C16H22FN3O — CID 107696232

IUPACN-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1OCCc1nccn1C
InChIInChI=1S/C16H22FN3O/c1-12(2)19-11-13-10-14(17)4-5-15(13)21-9-6-16-18-7-8-20(16)3/h4-5,7-8,10,12,19H,6,9,11H2,1-3H3
InChIKeyPRVOWHBVMVENTC-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.68
Rot. Bonds7

About N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine

N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 107696232) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID107696232
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)ccc1OCCc1nccn1C
InChIInChI=1S/C16H22FN3O/c1-12(2)19-11-13-10-14(17)4-5-15(13)21-9-6-16-18-7-8-20(16)3/h4-5,7-8,10,12,19H,6,9,11H2,1-3H3
InChIKeyPRVOWHBVMVENTC-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 107696192
N-[[5-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107696179
1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 114527299
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
N-[[5-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527230
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114530902
methyl 4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 107696219
2-[2-[2-(3-chloroprop-1-ynyl)-5-fluorophenoxy]ethyl]-1-methylimidazole
CID 114530868
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 107696232) is N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)ccc1OCCc1nccn1C.
What is the InChIKey of N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is PRVOWHBVMVENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-12(2)19-11-13-10-14(17)4-5-15(13)21-9-6-16-18-7-8-20(16)3/h4-5,7-8,10,12,19H,6,9,11H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107696232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).