1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol

C17H20FNO2 — CID 60632137

IUPAC1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCc1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-13-4-2-3-5-17(13)21-12-16(20)11-19-10-14-6-8-15(18)9-7-14/h2-9,16,19-20H,10-12H2,1H3
InChIKeyJDCLCYKSDRVPLQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.66
Rot. Bonds7

About 1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol

1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 60632137) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID60632137
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCc1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-13-4-2-3-5-17(13)21-12-16(20)11-19-10-14-6-8-15(18)9-7-14/h2-9,16,19-20H,10-12H2,1H3
InChIKeyJDCLCYKSDRVPLQ-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-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(4-fluoro-2-iodoanilino)-3-(2-methylphenoxy)propan-2-ol
CID 79759629
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-[(2-ethoxy-2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 114941993
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol (CID 60632137) is 1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is JDCLCYKSDRVPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-13-4-2-3-5-17(13)21-12-16(20)11-19-10-14-6-8-15(18)9-7-14/h2-9,16,19-20H,10-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)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-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 60632137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).