2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol

C18H22FNO2 — CID 154797670

IUPAC2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol
SMILESCCC(NC(CO)Cc1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C18H22FNO2/c1-2-17(16-5-3-4-6-18(16)22)20-15(12-21)11-13-7-9-14(19)10-8-13/h3-10,15,17,20-22H,2,11-12H2,1H3
InChIKeyDHTWYJNTNPULFB-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.18
Rot. Bonds7

About 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol

2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol (PubChem CID 154797670) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol
PubChem CID154797670
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol
SMILESCCC(NC(CO)Cc1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C18H22FNO2/c1-2-17(16-5-3-4-6-18(16)22)20-15(12-21)11-13-7-9-14(19)10-8-13/h3-10,15,17,20-22H,2,11-12H2,1H3
InChIKeyDHTWYJNTNPULFB-UHFFFAOYSA-N
XLogP3.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
2-[(1R)-1-[[(1R)-2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl]amino]propyl]phenol
CID 124592742
2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
CID 63260675
2-[1-(methylamino)propyl]phenol
CID 12862798
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
2-[1-(pent-1-yn-3-ylamino)propyl]phenol
CID 106225526
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol?
The IUPAC name of 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol (CID 154797670) is 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol.
What is the SMILES notation for 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol?
The canonical SMILES for 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol is CCC(NC(CO)Cc1ccc(F)cc1)c1ccccc1O.
What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol?
The InChIKey is DHTWYJNTNPULFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-17(16-5-3-4-6-18(16)22)20-15(12-21)11-13-7-9-14(19)10-8-13/h3-10,15,17,20-22H,2,11-12H2,1H3.
What are the key properties of 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol?
2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol has a molecular weight of 303.38 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]amino]propyl]phenol is sourced from PubChem (CID 154797670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).