3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol

C14H18FNO2 — CID 54970221

IUPAC3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol
SMILESCCN(CCO)Cc1ccc(F)c(C#CCO)c1
InChIInChI=1S/C14H18FNO2/c1-2-16(7-9-18)11-12-5-6-14(15)13(10-12)4-3-8-17/h5-6,10,17-18H,2,7-9,11H2,1H3
InChIKeyUHVBZWYDEDIXDR-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.98
Rot. Bonds5

About 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol

3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol (PubChem CID 54970221) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol
PubChem CID54970221
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol
SMILESCCN(CCO)Cc1ccc(F)c(C#CCO)c1
InChIInChI=1S/C14H18FNO2/c1-2-16(7-9-18)11-12-5-6-14(15)13(10-12)4-3-8-17/h5-6,10,17-18H,2,7-9,11H2,1H3
InChIKeyUHVBZWYDEDIXDR-UHFFFAOYSA-N
XLogP0.98
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile
CID 103758364
3-[5-[[ethyl(2-methylbutyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 79483023
1-[ethyl-[[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]methyl]amino]-2-methylpropan-2-ol
CID 79379712
2-[[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]propan-1-ol
CID 104553979
3-[2-fluoro-5-[[3-methoxypropyl(methyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 63009869
3-[2-fluoro-5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 63211061
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243
3-[5-(butylsulfanylmethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 54974432
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
5-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl-methylamino]pentan-1-ol
CID 107203671
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol (CID 54970221) is 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol is CCN(CCO)Cc1ccc(F)c(C#CCO)c1.
What is the InChIKey of 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is UHVBZWYDEDIXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-16(7-9-18)11-12-5-6-14(15)13(10-12)4-3-8-17/h5-6,10,17-18H,2,7-9,11H2,1H3.
What are the key properties of 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol?
3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 251.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 54970221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).