4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

C12H22FN3O — CID 103392381

IUPAC4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1ccnc1CC(F)(CCCN)COC
InChIInChI=1S/C12H22FN3O/c1-3-16-8-7-15-11(16)9-12(13,10-17-2)5-4-6-14/h7-8H,3-6,9-10,14H2,1-2H3
InChIKeyJLNPMLMHWVUOEE-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.54
Rot. Bonds8

About 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine

4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392381) has the molecular formula C12H22FN3O and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392381
Molecular FormulaC12H22FN3O
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC Name4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCCn1ccnc1CC(F)(CCCN)COC
InChIInChI=1S/C12H22FN3O/c1-3-16-8-7-15-11(16)9-12(13,10-17-2)5-4-6-14/h7-8H,3-6,9-10,14H2,1-2H3
InChIKeyJLNPMLMHWVUOEE-UHFFFAOYSA-N
XLogP1.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methyl-1H-imidazol-2-yl)-1-[2-(tetrahydro-3-furanyl)ethyl]piperidine
CID 70751123
(1-methyl-1H-imidazol-2-yl)(oxan-4-yl)methanamine
CID 65334856
2-Tert-butyl-1-[(4-fluorooxan-4-yl)methyl]-4-iodoimidazole
CID 67456453
Tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane
CID 67456837
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine
CID 54906222
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
CID 55226430
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-methoxybutan-1-amine
CID 61814566
1-[1-[3-(2,2,2-Trifluoroethoxy)propyl]imidazol-2-yl]butan-2-amine
CID 63097059
3-[[[1-(Difluoromethyl)imidazol-2-yl]methylamino]methyl]pentan-1-ol
CID 80290754
4-Fluoro-4-[(2-methylimidazol-1-yl)methyl]azepane
CID 84678613
1-(1-Methylimidazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103147994
1-(1-Methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 103148001

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392381) is 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is CCn1ccnc1CC(F)(CCCN)COC.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is JLNPMLMHWVUOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3O/c1-3-16-8-7-15-11(16)9-12(13,10-17-2)5-4-6-14/h7-8H,3-6,9-10,14H2,1-2H3.
What are the key properties of 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).