(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol

C15H22FNO2 — CID 78940583

IUPAC(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(CCO)C2CCCC2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(19)12-6-7-15(14(16)10-12)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
InChIKeyPJCSAGUEDAHDAB-LLVKDONJSA-N
MW267.34 g/mol
LogP2.62
Rot. Bonds5

About (1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol

(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol (PubChem CID 78940583) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
PubChem CID78940583
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(CCO)C2CCCC2)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-11(19)12-6-7-15(14(16)10-12)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
InChIKeyPJCSAGUEDAHDAB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863575
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-nitrophenyl]ethanol
CID 63372699
(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78940497
(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
CID 64521778
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
CID 54994433
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol (CID 78940583) is (1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol is C[C@@H](O)c1ccc(N(CCO)C2CCCC2)c(F)c1.
What is the InChIKey of (1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is PJCSAGUEDAHDAB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(19)12-6-7-15(14(16)10-12)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-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol?
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-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-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 78940583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).