3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol

C12H18FNO2 — CID 111112508

IUPAC3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)Cc1ccccc1F
InChIInChI=1S/C12H18FNO2/c13-12-5-2-1-4-11(12)10-14(7-9-16)6-3-8-15/h1-2,4-5,15-16H,3,6-10H2
InChIKeyRWCUOKIORPSVAF-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.00
Rot. Bonds7

About 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol

3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 111112508) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID111112508
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)Cc1ccccc1F
InChIInChI=1S/C12H18FNO2/c13-12-5-2-1-4-11(12)10-14(7-9-16)6-3-8-15/h1-2,4-5,15-16H,3,6-10H2
InChIKeyRWCUOKIORPSVAF-UHFFFAOYSA-N
XLogP1.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
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2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
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3-[2-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91833428
N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(5-methylhexyl)ethane-1,2-diamine
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2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
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2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
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2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol (CID 111112508) is 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol is OCCCN(CCO)Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is RWCUOKIORPSVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c13-12-5-2-1-4-11(12)10-14(7-9-16)6-3-8-15/h1-2,4-5,15-16H,3,6-10H2.
What are the key properties of 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol?
3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 111112508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).