1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol

C18H24FNO3 — CID 24713097

IUPAC1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)CN(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C18H24FNO3/c1-2-9-22-14-16(21)12-20(13-17-7-5-10-23-17)11-15-6-3-4-8-18(15)19/h1,3-4,6,8,16-17,21H,5,7,9-14H2
InChIKeyGGLHJPQXEYFCQE-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.82
Rot. Bonds9

About 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol

1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol (PubChem CID 24713097) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol
PubChem CID24713097
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)CN(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C18H24FNO3/c1-2-9-22-14-16(21)12-20(13-17-7-5-10-23-17)11-15-6-3-4-8-18(15)19/h1,3-4,6,8,16-17,21H,5,7,9-14H2
InChIKeyGGLHJPQXEYFCQE-UHFFFAOYSA-N
XLogP1.82
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[Benzyl(2-hydroxyethyl)amino]-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 70331967
1-(Cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol
CID 3152613
3-Butoxy-1-[benzylpyrrolidinyl]propan-2-ol
CID 43842234
4-Benzyl-4-(3-butoxy-2-hydroxypropyl)morpholin-4-ium chloride
CID 45283754
1-Benzyl-1-(3-butoxy-2-hydroxypropyl)pyrrolidin-1-ium chloride
CID 45283755
1-[(4-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
CID 24713122
[(4-Fluorophenyl)methyl][2-hydroxy-3-(prop-2-EN-1-yloxy)propyl][(oxolan-2-YL)methyl]amine
CID 24713124
[3-(Tert-butoxy)-2-hydroxypropyl][(2-fluorophenyl)methyl](3-methoxypropyl)amine
CID 24713352
1-[(4-Fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 24713376
1-[(4-Fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713378
1-[(4-Fluorophenyl)methyl-(3-methylbutyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 24713379
[(2,4-Difluorophenyl)methyl][2-hydroxy-3-(prop-2-EN-1-yloxy)propyl](2-methoxyethyl)amine
CID 24713479

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol (CID 24713097) is 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol is C#CCOCC(O)CN(Cc1ccccc1F)CC1CCCO1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol?
The InChIKey is GGLHJPQXEYFCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-2-9-22-14-16(21)12-20(13-17-7-5-10-23-17)11-15-6-3-4-8-18(15)19/h1,3-4,6,8,16-17,21H,5,7,9-14H2.
What are the key properties of 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol?
1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol has a molecular weight of 321.39 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol is sourced from PubChem (CID 24713097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).