1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C15H20FN3O — CID 107686431

IUPAC1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCn1cncc1COc1ccc(CNC)cc1F
InChIInChI=1S/C15H20FN3O/c1-3-6-19-11-18-9-13(19)10-20-15-5-4-12(8-17-2)7-14(15)16/h4-5,7,9,11,17H,3,6,8,10H2,1-2H3
InChIKeyAQBMGAOOUAEZJN-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.73
Rot. Bonds7

About 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 107686431) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID107686431
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCCn1cncc1COc1ccc(CNC)cc1F
InChIInChI=1S/C15H20FN3O/c1-3-6-19-11-18-9-13(19)10-20-15-5-4-12(8-17-2)7-14(15)16/h4-5,7,9,11,17H,3,6,8,10H2,1-2H3
InChIKeyAQBMGAOOUAEZJN-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 66153594
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318711
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-[5-chloro-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66154177
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
4-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzonitrile
CID 114322780
5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 66154570
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
CID 82921640
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 107686431) is 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CCCn1cncc1COc1ccc(CNC)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is AQBMGAOOUAEZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-6-19-11-18-9-13(19)10-20-15-5-4-12(8-17-2)7-14(15)16/h4-5,7,9,11,17H,3,6,8,10H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107686431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).