(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol

C11H16FNO — CID 93033609

IUPAC(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](C)O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-8(14)7-13-9(2)10-3-5-11(12)6-4-10/h3-6,8-9,13-14H,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyKSCHUPZMMYJXFJ-BDAKNGLRSA-N
MW197.25 g/mol
LogP1.86
Rot. Bonds4

About (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol

(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol (PubChem CID 93033609) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
PubChem CID93033609
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@@H](C)O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-8(14)7-13-9(2)10-3-5-11(12)6-4-10/h3-6,8-9,13-14H,7H2,1-2H3/t8-,9+/m1/s1
InChIKeyKSCHUPZMMYJXFJ-BDAKNGLRSA-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

(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81347893
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81348160
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol (CID 93033609) is (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol is C[C@H](NC[C@@H](C)O)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
The InChIKey is KSCHUPZMMYJXFJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(14)7-13-9(2)10-3-5-11(12)6-4-10/h3-6,8-9,13-14H,7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol 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 (2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 93033609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).