N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine

C13H16FN3 — CID 106559103

IUPACN-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCc1ccccc1F
InChIInChI=1S/C13H16FN3/c1-2-8-17-9-7-15-13(17)16-10-11-5-3-4-6-12(11)14/h3-7,9H,2,8,10H2,1H3,(H,15,16)
InChIKeyAVZSIMWIGHHJTO-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.04
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine

N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine (PubChem CID 106559103) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
PubChem CID106559103
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCc1ccccc1F
InChIInChI=1S/C13H16FN3/c1-2-8-17-9-7-15-13(17)16-10-11-5-3-4-6-12(11)14/h3-7,9H,2,8,10H2,1H3,(H,15,16)
InChIKeyAVZSIMWIGHHJTO-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-N-(quinolin-8-ylmethyl)imidazol-2-amine
CID 106577425
N-[(4-methyl-3-pyridinyl)methyl]-1-propylimidazol-2-amine
CID 106583359
1-cyclopropyl-N-[(2-fluorophenyl)methyl]imidazol-2-amine
CID 106559126
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
CID 107605154
2-(2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)ethanamine
CID 63970219
N-[(3-chlorophenyl)methyl]-1-propylimidazol-2-amine
CID 106570097
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
1-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]imidazol-2-amine
CID 62139154
N-[(2,4-difluorophenyl)methyl]-1-(3-methoxypropyl)imidazol-2-amine
CID 106569801
N-hexyl-1-propylimidazol-2-amine
CID 106573792
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine (CID 106559103) is N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine is CCCn1ccnc1NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine?
The InChIKey is AVZSIMWIGHHJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-8-17-9-7-15-13(17)16-10-11-5-3-4-6-12(11)14/h3-7,9H,2,8,10H2,1H3,(H,15,16).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine?
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine has a molecular weight of 233.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine is sourced from PubChem (CID 106559103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).