N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

C18H24FN3O — CID 43818482

IUPACN-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCn1cncc1CN(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C18H24FN3O/c1-2-22-14-20-10-16(22)12-21(13-17-7-5-9-23-17)11-15-6-3-4-8-18(15)19/h3-4,6,8,10,14,17H,2,5,7,9,11-13H2,1H3
InChIKeyKDRNJKBCBYABDG-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.22
Rot. Bonds7

About N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 43818482) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID43818482
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCn1cncc1CN(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C18H24FN3O/c1-2-22-14-20-10-16(22)12-21(13-17-7-5-9-23-17)11-15-6-3-4-8-18(15)19/h3-4,6,8,10,14,17H,2,5,7,9,11-13H2,1H3
InChIKeyKDRNJKBCBYABDG-UHFFFAOYSA-N
XLogP3.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 164631836
N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
CID 46954463
1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 42567645
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
3-[[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 92572737
N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51495228
N-[(1-ethylindol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 99929466
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962826

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 43818482) is N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is CCn1cncc1CN(Cc1ccccc1F)CC1CCCO1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is KDRNJKBCBYABDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-2-22-14-20-10-16(22)12-21(13-17-7-5-9-23-17)11-15-6-3-4-8-18(15)19/h3-4,6,8,10,14,17H,2,5,7,9,11-13H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 317.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43818482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).