1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol

C19H24FNO4 — CID 4318167

IUPAC1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol
SMILESCOc1ccc(COCC(O)CNCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H24FNO4/c1-23-18-8-5-15(9-19(18)24-2)12-25-13-17(22)11-21-10-14-3-6-16(20)7-4-14/h3-9,17,21-22H,10-13H2,1-2H3
InChIKeyBBPWKFIUPCDAHT-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.51
Rot. Bonds10

About 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol

1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol (PubChem CID 4318167) has the molecular formula C19H24FNO4 and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol
PubChem CID4318167
Molecular FormulaC19H24FNO4
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol
SMILESCOc1ccc(COCC(O)CNCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H24FNO4/c1-23-18-8-5-15(9-19(18)24-2)12-25-13-17(22)11-21-10-14-3-6-16(20)7-4-14/h3-9,17,21-22H,10-13H2,1-2H3
InChIKeyBBPWKFIUPCDAHT-UHFFFAOYSA-N
XLogP2.51
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
(2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 2082356
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 102417589
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)propan-1-amine
CID 22026298
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7329897
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-ethylazanium
CID 2104429
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
CID 67253770
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
(2S)-1-(4-tert-butyl-2-methylphenoxy)-3-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol
CID 2441770

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol (CID 4318167) is 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol is COc1ccc(COCC(O)CNCc2ccc(F)cc2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol?
The InChIKey is BBPWKFIUPCDAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4/c1-23-18-8-5-15(9-19(18)24-2)12-25-13-17(22)11-21-10-14-3-6-16(20)7-4-14/h3-9,17,21-22H,10-13H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol?
1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol has a molecular weight of 349.40 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methoxy]-3-[(4-fluorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 4318167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).