(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol

C11H16FNO — CID 42553259

IUPAC(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1
InChIKeyICFWAKHBPUVWHZ-LLVKDONJSA-N
MW197.25 g/mol
LogP1.86
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol

(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 42553259) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID42553259
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1
InChIKeyICFWAKHBPUVWHZ-LLVKDONJSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
1-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 172687995
2-[1-(dimethylamino)propan-2-ylamino]-1-(4-fluorophenyl)ethanol
CID 82937633
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol (CID 42553259) is (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NC[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is ICFWAKHBPUVWHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol?
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 197.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 42553259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).