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

C12H18FNO — CID 93082731

IUPAC(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
SMILESCC[C@H](N[C@H](C)CO)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-12(14-9(2)8-15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m1/s1
InChIKeyRHYUKCPFBWMEQJ-SKDRFNHKSA-N
MW211.28 g/mol
LogP2.25
Rot. Bonds5

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

(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol (PubChem CID 93082731) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
PubChem CID93082731
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
SMILESCC[C@H](N[C@H](C)CO)c1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-12(14-9(2)8-15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m1/s1
InChIKeyRHYUKCPFBWMEQJ-SKDRFNHKSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181
N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
CID 54949998
(2S)-2-[1-(3-bromo-5-fluorophenyl)propylamino]propan-1-ol
CID 103921760
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 75428016
(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 97322268

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol (CID 93082731) is (2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol is CC[C@H](N[C@H](C)CO)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol?
The InChIKey is RHYUKCPFBWMEQJ-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-12(14-9(2)8-15)10-4-6-11(13)7-5-10/h4-7,9,12,14-15H,3,8H2,1-2H3/t9-,12+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol?
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol is sourced from PubChem (CID 93082731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).