2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol

C12H18FNO2 — CID 82215871

IUPAC2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
SMILESCCN(CCO)CC(O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO2/c1-2-14(7-8-15)9-12(16)10-3-5-11(13)6-4-10/h3-6,12,15-16H,2,7-9H2,1H3
InChIKeyZLADUCVDKVYLCZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.17
Rot. Bonds6

About 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol

2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol (PubChem CID 82215871) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
PubChem CID82215871
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
SMILESCCN(CCO)CC(O)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO2/c1-2-14(7-8-15)9-12(16)10-3-5-11(13)6-4-10/h3-6,12,15-16H,2,7-9H2,1H3
InChIKeyZLADUCVDKVYLCZ-UHFFFAOYSA-N
XLogP1.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 82217059
2-[ethyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetonitrile
CID 110912728
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 94954558
3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 55099258
2-[ethyl(2-hydroxyethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215823
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214488
4-[2-[ethyl(propyl)amino]-1-hydroxyethyl]benzenecarbothioamide
CID 43290632
4-[2-[butyl(2-hydroxyethyl)amino]-1-hydroxyethyl]benzenecarbothioamide
CID 61447928

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol (CID 82215871) is 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol is CCN(CCO)CC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is ZLADUCVDKVYLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-2-14(7-8-15)9-12(16)10-3-5-11(13)6-4-10/h3-6,12,15-16H,2,7-9H2,1H3.
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol?
2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 227.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 82215871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).