1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol

C14H18FN3O — CID 61479260

IUPAC1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
SMILESCC(Cn1ccnc1)NCC(O)c1ccccc1F
InChIInChI=1S/C14H18FN3O/c1-11(9-18-7-6-16-10-18)17-8-14(19)12-4-2-3-5-13(12)15/h2-7,10-11,14,17,19H,8-9H2,1H3
InChIKeyMFBUCJZRVWKZME-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.73
Rot. Bonds6

About 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol

1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol (PubChem CID 61479260) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
PubChem CID61479260
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
SMILESCC(Cn1ccnc1)NCC(O)c1ccccc1F
InChIInChI=1S/C14H18FN3O/c1-11(9-18-7-6-16-10-18)17-8-14(19)12-4-2-3-5-13(12)15/h2-7,10-11,14,17,19H,8-9H2,1H3
InChIKeyMFBUCJZRVWKZME-UHFFFAOYSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 112631437
2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200232
(1R)-1-(2,5-difluorophenyl)-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200233
2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
CID 81133447
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111565611
1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine
CID 114058314
1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 61459886
1-[2-(2-fluorophenyl)-2-(4-phenylphenyl)ethyl]imidazole
CID 12831919

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol (CID 61479260) is 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol is CC(Cn1ccnc1)NCC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol?
The InChIKey is MFBUCJZRVWKZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-11(9-18-7-6-16-10-18)17-8-14(19)12-4-2-3-5-13(12)15/h2-7,10-11,14,17,19H,8-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol?
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol has a molecular weight of 263.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol is sourced from PubChem (CID 61479260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).