(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol

C15H22FNO2 — CID 63372730

IUPAC(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1N(CCO)C1CCCC1
InChIInChI=1S/C15H22FNO2/c1-11(19)14-10-12(16)6-7-15(14)17(8-9-18)13-4-2-3-5-13/h6-7,10-11,13,18-19H,2-5,8-9H2,1H3/t11-/m1/s1
InChIKeyWNQKWFKIIAYBAR-LLVKDONJSA-N
MW267.34 g/mol
LogP2.62
Rot. Bonds5

About (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol

(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol (PubChem CID 63372730) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
PubChem CID63372730
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1N(CCO)C1CCCC1
InChIInChI=1S/C15H22FNO2/c1-11(19)14-10-12(16)6-7-15(14)17(8-9-18)13-4-2-3-5-13/h6-7,10-11,13,18-19H,2-5,8-9H2,1H3/t11-/m1/s1
InChIKeyWNQKWFKIIAYBAR-LLVKDONJSA-N
XLogP2.62
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol (CID 63372730) is (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1N(CCO)C1CCCC1.
What is the InChIKey of (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol?
The InChIKey is WNQKWFKIIAYBAR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(19)14-10-12(16)6-7-15(14)17(8-9-18)13-4-2-3-5-13/h6-7,10-11,13,18-19H,2-5,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol?
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol has a molecular weight of 267.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 63372730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).