(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol

C15H24FNO2 — CID 78940624

IUPAC(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
SMILESCCC(C)N(CCOC)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C15H24FNO2/c1-5-11(2)17(8-9-19-4)15-7-6-13(12(3)18)10-14(15)16/h6-7,10-12,18H,5,8-9H2,1-4H3/t11?,12-/m1/s1
InChIKeyDJHRHNHUEQKPRI-PIJUOVFKSA-N
MW269.36 g/mol
LogP3.13
Rot. Bonds7

About (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol

(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol (PubChem CID 78940624) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
PubChem CID78940624
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
SMILESCCC(C)N(CCOC)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C15H24FNO2/c1-5-11(2)17(8-9-19-4)15-7-6-13(12(3)18)10-14(15)16/h6-7,10-12,18H,5,8-9H2,1-4H3/t11?,12-/m1/s1
InChIKeyDJHRHNHUEQKPRI-PIJUOVFKSA-N
XLogP3.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
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

(1S)-1-[3-fluoro-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 78940650
(1R)-1-[3-bromo-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanol
CID 63372750
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
1-[4-[butan-2-yl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43506190
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
(1S)-1-[3-fluoro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 78940410
(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339609
1-[3-fluoro-4-[2-hydroxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 54994585
(1S)-1-[3-bromo-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950797
[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005430
4-(bromomethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 107082042
1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950972

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol (CID 78940624) is (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol is CCC(C)N(CCOC)c1ccc([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is DJHRHNHUEQKPRI-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-5-11(2)17(8-9-19-4)15-7-6-13(12(3)18)10-14(15)16/h6-7,10-12,18H,5,8-9H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 269.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 78940624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).