3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine

C12H14FN3O — CID 117188645

IUPAC3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
SMILESCCn1c(N)cnc1COc1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-2-16-11(14)7-15-12(16)8-17-10-5-3-4-9(13)6-10/h3-7H,2,8,14H2,1H3
InChIKeyIOVBTEZCFFSMDL-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.20
Rot. Bonds4

About 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine

3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine (PubChem CID 117188645) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
PubChem CID117188645
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
SMILESCCn1c(N)cnc1COc1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-2-16-11(14)7-15-12(16)8-17-10-5-3-4-9(13)6-10/h3-7H,2,8,14H2,1H3
InChIKeyIOVBTEZCFFSMDL-UHFFFAOYSA-N
XLogP2.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188387
2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
CID 117188384
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine
CID 117187295
5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole
CID 117188694
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 117257148
3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole
CID 130899394
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
(5-amino-1-ethylimidazol-2-yl)methanethiol
CID 117188798
3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171340
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine?
The IUPAC name of 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine (CID 117188645) is 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine.
What is the SMILES notation for 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine?
The canonical SMILES for 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine is CCn1c(N)cnc1COc1cccc(F)c1.
What is the InChIKey of 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine?
The InChIKey is IOVBTEZCFFSMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-16-11(14)7-15-12(16)8-17-10-5-3-4-9(13)6-10/h3-7H,2,8,14H2,1H3.
What are the key properties of 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine?
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine has a molecular weight of 235.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine is sourced from PubChem (CID 117188645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).