2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol

C16H14FNO — CID 60902359

IUPAC2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol
SMILESC#Cc1cccc(NCC(O)c2ccccc2F)c1
InChIInChI=1S/C16H14FNO/c1-2-12-6-5-7-13(10-12)18-11-16(19)14-8-3-4-9-15(14)17/h1,3-10,16,18-19H,11H2
InChIKeyJXRFQABWJORECR-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.95
Rot. Bonds4

About 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol

2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol (PubChem CID 60902359) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol
PubChem CID60902359
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol
SMILESC#Cc1cccc(NCC(O)c2ccccc2F)c1
InChIInChI=1S/C16H14FNO/c1-2-12-6-5-7-13(10-12)18-11-16(19)14-8-3-4-9-15(14)17/h1,3-10,16,18-19H,11H2
InChIKeyJXRFQABWJORECR-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethynylphenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75877588
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716
2-(3-ethynylanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60902936
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
1-chloro-3-(3-ethynylanilino)propan-2-ol
CID 168636271
N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 110898649
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60896465
1-(3-bromophenyl)-2-(3-ethynylanilino)ethanol
CID 60902934
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952
3-fluoro-4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 79770420
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol (CID 60902359) is 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol is C#Cc1cccc(NCC(O)c2ccccc2F)c1.
What is the InChIKey of 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol?
The InChIKey is JXRFQABWJORECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-2-12-6-5-7-13(10-12)18-11-16(19)14-8-3-4-9-15(14)17/h1,3-10,16,18-19H,11H2.
What are the key properties of 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol?
2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol has a molecular weight of 255.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 60902359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).