(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol

C18H22FNO — CID 104926148

IUPAC(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
SMILESCC(Cc1cccc(F)c1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C18H22FNO/c1-14(10-16-8-5-9-17(19)11-16)20-18(13-21)12-15-6-3-2-4-7-15/h2-9,11,14,18,20-21H,10,12-13H2,1H3/t14?,18-/m1/s1
InChIKeyPSTYDSDHBYAZAI-XPKAQORNSA-N
MW287.38 g/mol
LogP2.95
Rot. Bonds7

About (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol

(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol (PubChem CID 104926148) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
PubChem CID104926148
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
SMILESCC(Cc1cccc(F)c1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C18H22FNO/c1-14(10-16-8-5-9-17(19)11-16)20-18(13-21)12-15-6-3-2-4-7-15/h2-9,11,14,18,20-21H,10,12-13H2,1H3/t14?,18-/m1/s1
InChIKeyPSTYDSDHBYAZAI-XPKAQORNSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol (CID 104926148) is (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol is CC(Cc1cccc(F)c1)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol?
The InChIKey is PSTYDSDHBYAZAI-XPKAQORNSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14(10-16-8-5-9-17(19)11-16)20-18(13-21)12-15-6-3-2-4-7-15/h2-9,11,14,18,20-21H,10,12-13H2,1H3/t14?,18-/m1/s1.
What are the key properties of (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol?
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104926148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).