1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol

C18H21F2NO3 — CID 110878823

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)COc2ccc(F)cc2)cc1F
InChIInChI=1S/C18H21F2NO3/c1-21(10-13-3-8-18(23-2)17(20)9-13)11-15(22)12-24-16-6-4-14(19)5-7-16/h3-9,15,22H,10-12H2,1-2H3
InChIKeyJZSYDHYHVRQZHL-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.85
Rot. Bonds8

About 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol

1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 110878823) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID110878823
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)COc2ccc(F)cc2)cc1F
InChIInChI=1S/C18H21F2NO3/c1-21(10-13-3-8-18(23-2)17(20)9-13)11-15(22)12-24-16-6-4-14(19)5-7-16/h3-9,15,22H,10-12H2,1-2H3
InChIKeyJZSYDHYHVRQZHL-UHFFFAOYSA-N
XLogP2.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 55346663
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778130
1-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl-methylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132778982
methyl 4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]benzoate
CID 46664178
(2R)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 2508986
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 78805385
1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
CID 132777879
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110019576
1-(3-bromo-4-fluorophenoxy)-3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl-methylamino]propan-2-ol
CID 167244390
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol (CID 110878823) is 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol is COc1ccc(CN(C)CC(O)COc2ccc(F)cc2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is JZSYDHYHVRQZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3/c1-21(10-13-3-8-18(23-2)17(20)9-13)11-15(22)12-24-16-6-4-14(19)5-7-16/h3-9,15,22H,10-12H2,1-2H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 337.37 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 110878823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).