1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol

C15H22FNO — CID 43541379

IUPAC1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
SMILESCCN(c1ccc(C(C)O)cc1F)C1CCCC1
InChIInChI=1S/C15H22FNO/c1-3-17(13-6-4-5-7-13)15-9-8-12(11(2)18)10-14(15)16/h8-11,13,18H,3-7H2,1-2H3
InChIKeySFXPYHWPRIVEBR-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.65
Rot. Bonds4

About 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol

1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol (PubChem CID 43541379) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
PubChem CID43541379
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
SMILESCCN(c1ccc(C(C)O)cc1F)C1CCCC1
InChIInChI=1S/C15H22FNO/c1-3-17(13-6-4-5-7-13)15-9-8-12(11(2)18)10-14(15)16/h8-11,13,18H,3-7H2,1-2H3
InChIKeySFXPYHWPRIVEBR-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940583
(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
CID 64521778
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052
4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
CID 63783721
1-[4-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-fluorophenyl]ethanol
CID 61434878
1-[4-[butan-2-yl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43506190
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
4-[cyclohexyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658138
2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863575
1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol
CID 61445224

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol (CID 43541379) is 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol is CCN(c1ccc(C(C)O)cc1F)C1CCCC1.
What is the InChIKey of 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is SFXPYHWPRIVEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17(13-6-4-5-7-13)15-9-8-12(11(2)18)10-14(15)16/h8-11,13,18H,3-7H2,1-2H3.
What are the key properties of 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol?
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 43541379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).