1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol

C13H18FNO — CID 43506129

IUPAC1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
SMILESCCN(c1ccc(F)cc1C(C)O)C1CC1
InChIInChI=1S/C13H18FNO/c1-3-15(11-5-6-11)13-7-4-10(14)8-12(13)9(2)16/h4,7-9,11,16H,3,5-6H2,1-2H3
InChIKeyREYHTDIMUADNDG-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.87
Rot. Bonds4

About 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol

1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol (PubChem CID 43506129) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
PubChem CID43506129
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
SMILESCCN(c1ccc(F)cc1C(C)O)C1CC1
InChIInChI=1S/C13H18FNO/c1-3-15(11-5-6-11)13-7-4-10(14)8-12(13)9(2)16/h4,7-9,11,16H,3,5-6H2,1-2H3
InChIKeyREYHTDIMUADNDG-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol
CID 64520190
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-5-fluorophenyl]ethanol
CID 61434629
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
2-(bromomethyl)-N-cyclopropyl-N-ethyl-4-fluoroaniline
CID 107079822
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol (CID 43506129) is 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol is CCN(c1ccc(F)cc1C(C)O)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol?
The InChIKey is REYHTDIMUADNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-15(11-5-6-11)13-7-4-10(14)8-12(13)9(2)16/h4,7-9,11,16H,3,5-6H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol?
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 43506129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).