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

C14H22FNO — CID 43505973

IUPAC1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
SMILESCCCCN(CC)c1ccc(C(C)O)cc1F
InChIInChI=1S/C14H22FNO/c1-4-6-9-16(5-2)14-8-7-12(11(3)17)10-13(14)15/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyKEVYTCUCPAWDLG-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.51
Rot. Bonds6

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

1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol (PubChem CID 43505973) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
PubChem CID43505973
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
SMILESCCCCN(CC)c1ccc(C(C)O)cc1F
InChIInChI=1S/C14H22FNO/c1-4-6-9-16(5-2)14-8-7-12(11(3)17)10-13(14)15/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyKEVYTCUCPAWDLG-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.51
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-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 55183360
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 61445859
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
CID 104861804
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
3-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-2-methylpropanenitrile
CID 55183748
(1S)-1-[3-fluoro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 78940410
1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol
CID 61445224
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
1-[4-[butan-2-yl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43506190
(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 63370901

Frequently Asked Questions

What is the IUPAC name of 1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol (CID 43505973) is 1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol is CCCCN(CC)c1ccc(C(C)O)cc1F.
What is the InChIKey of 1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is KEVYTCUCPAWDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-6-9-16(5-2)14-8-7-12(11(3)17)10-13(14)15/h7-8,10-11,17H,4-6,9H2,1-3H3.
What are the key properties of 1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol?
1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 239.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 43505973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).