1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol

C18H21F2NO2 — CID 134001793

IUPAC1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN(C)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2NO2/c1-13-3-7-17(8-4-13)23-12-16(22)11-21(2)10-14-5-6-15(19)9-18(14)20/h3-9,16,22H,10-12H2,1-2H3
InChIKeyWQUOAYPRSQDRPR-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.14
Rot. Bonds7

About 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol

1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 134001793) has the molecular formula C18H21F2NO2 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID134001793
Molecular FormulaC18H21F2NO2
Molecular Weight321.37 g/mol
Exact Mass321.15
IUPAC Name1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN(C)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2NO2/c1-13-3-7-17(8-4-13)23-12-16(22)11-21(2)10-14-5-6-15(19)9-18(14)20/h3-9,16,22H,10-12H2,1-2H3
InChIKeyWQUOAYPRSQDRPR-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 78820773
(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 41324163
(2S)-1-[(2,4-difluorophenyl)methyl-propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 93162660
1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
CID 42682400
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
4-[2-hydroxy-3-[methyl-[(4-methylphenyl)methyl]amino]propoxy]benzonitrile
CID 51160351
(2R)-1-[benzyl-[(2,4-difluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93164801
4-[3-[(2-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 51160367
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110019576
1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 3786729
1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 78800592

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol (CID 134001793) is 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CN(C)Cc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is WQUOAYPRSQDRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2/c1-13-3-7-17(8-4-13)23-12-16(22)11-21(2)10-14-5-6-15(19)9-18(14)20/h3-9,16,22H,10-12H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol?
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 321.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 134001793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).