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

C14H22FNO2 — CID 95170921

IUPAC(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
SMILESCCCCN(CCO)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-2-3-8-16(9-10-17)11-14(18)12-4-6-13(15)7-5-12/h4-7,14,17-18H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyOEYVZWHROKQOBS-AWEZNQCLSA-N
MW255.33 g/mol
LogP1.95
Rot. Bonds8

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

(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol (PubChem CID 95170921) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is (1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
PubChem CID95170921
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
SMILESCCCCN(CCO)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-2-3-8-16(9-10-17)11-14(18)12-4-6-13(15)7-5-12/h4-7,14,17-18H,2-3,8-11H2,1H3/t14-/m0/s1
InChIKeyOEYVZWHROKQOBS-AWEZNQCLSA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 82215871
4-[2-[butyl(2-hydroxyethyl)amino]-1-hydroxyethyl]benzenecarbothioamide
CID 61447928
4-[2-(dibutylamino)-1-hydroxyethyl]benzenecarbothioamide
CID 43290538
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
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
2-[ethyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetonitrile
CID 110912728
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol (CID 95170921) is (1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol is CCCCN(CCO)C[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is OEYVZWHROKQOBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-2-3-8-16(9-10-17)11-14(18)12-4-6-13(15)7-5-12/h4-7,14,17-18H,2-3,8-11H2,1H3/t14-/m0/s1.
What are the key properties of (1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol?
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 255.33 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 95170921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).