1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol

C17H20FNO2 — CID 60729279

IUPAC1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
SMILESCc1cccc(CNCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-13-3-2-4-14(9-13)10-19-11-16(20)12-21-17-7-5-15(18)6-8-17/h2-9,16,19-20H,10-12H2,1H3
InChIKeySOLTWVVRWXZFJX-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.66
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol

1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol (PubChem CID 60729279) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
PubChem CID60729279
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
SMILESCc1cccc(CNCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO2/c1-13-3-2-4-14(9-13)10-19-11-16(20)12-21-17-7-5-15(18)6-8-17/h2-9,16,19-20H,10-12H2,1H3
InChIKeySOLTWVVRWXZFJX-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889
1-[(2,5-difluorophenyl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906225
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]benzonitrile
CID 56814710
1-[(3-methylphenyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54937990
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide
CID 110887813
1-[[4-(dimethylamino)phenyl]methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110906230
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 78971544
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol (CID 60729279) is 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol is Cc1cccc(CNCC(O)COc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol?
The InChIKey is SOLTWVVRWXZFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-13-3-2-4-14(9-13)10-19-11-16(20)12-21-17-7-5-15(18)6-8-17/h2-9,16,19-20H,10-12H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol?
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol has a molecular weight of 289.35 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 60729279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).