N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine

C16H22FN3O — CID 66140310

IUPACN-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCc1cncn1C
InChIInChI=1S/C16H22FN3O/c1-4-7-19-12(2)15-6-5-13(17)8-16(15)21-10-14-9-18-11-20(14)3/h5-6,8-9,11-12,19H,4,7,10H2,1-3H3
InChIKeyJQGVXOPFRJEZQV-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.20
Rot. Bonds7

About N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine

N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine (PubChem CID 66140310) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
PubChem CID66140310
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(F)cc1OCc1cncn1C
InChIInChI=1S/C16H22FN3O/c1-4-7-19-12(2)15-6-5-13(17)8-16(15)21-10-14-9-18-11-20(14)3/h5-6,8-9,11-12,19H,4,7,10H2,1-3H3
InChIKeyJQGVXOPFRJEZQV-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63066755
N-[[5-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107696179
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
N-[1-[2-[(5-bromothiophen-2-yl)methoxy]-4-fluorophenyl]ethyl]propan-1-amine
CID 63485328
N-[1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63065346
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 79027030
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine (CID 66140310) is N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(F)cc1OCc1cncn1C.
What is the InChIKey of N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is JQGVXOPFRJEZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-7-19-12(2)15-6-5-13(17)8-16(15)21-10-14-9-18-11-20(14)3/h5-6,8-9,11-12,19H,4,7,10H2,1-3H3.
What are the key properties of N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine?
N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 291.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 66140310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).