2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol

C18H22FNO — CID 142864952

IUPAC2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol
SMILESOCCNCC[C@@H](Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H22FNO/c19-18-9-5-4-8-17(18)14-16(10-11-20-12-13-21)15-6-2-1-3-7-15/h1-9,16,20-21H,10-14H2/t16-/m0/s1
InChIKeyQEDKTIMFEKWKMW-INIZCTEOSA-N
MW287.38 g/mol
LogP3.12
Rot. Bonds8

About 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol

2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol (PubChem CID 142864952) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol
PubChem CID142864952
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol
SMILESOCCNCC[C@@H](Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H22FNO/c19-18-9-5-4-8-17(18)14-16(10-11-20-12-13-21)15-6-2-1-3-7-15/h1-9,16,20-21H,10-14H2/t16-/m0/s1
InChIKeyQEDKTIMFEKWKMW-INIZCTEOSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(3R)-4-(2-methylphenyl)-3-phenylbutyl]amino]ethanol
CID 143010811
2-[[(3R)-4-(2-bromophenyl)-3-phenylbutyl]amino]ethanol;methanol
CID 143010727
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 79432118
6-(hydroxyamino)-4-phenylhexan-1-ol
CID 134423363
3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 115976612
3-(2,4-difluorophenyl)-2-phenylpropan-1-ol
CID 66059206
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
CID 174779552
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol?
The IUPAC name of 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol (CID 142864952) is 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol.
What is the SMILES notation for 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol?
The canonical SMILES for 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol is OCCNCC[C@@H](Cc1ccccc1F)c1ccccc1.
What is the InChIKey of 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol?
The InChIKey is QEDKTIMFEKWKMW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22FNO/c19-18-9-5-4-8-17(18)14-16(10-11-20-12-13-21)15-6-2-1-3-7-15/h1-9,16,20-21H,10-14H2/t16-/m0/s1.
What are the key properties of 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol?
2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol has a molecular weight of 287.38 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-4-(2-fluorophenyl)-3-phenylbutyl]amino]ethanol is sourced from PubChem (CID 142864952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).