(2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol

C18H22FNO3 — CID 52528617

IUPAC(2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CN(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO3/c1-20(16-7-5-15(19)6-8-16)11-17(21)13-23-12-14-3-9-18(22-2)10-4-14/h3-10,17,21H,11-13H2,1-2H3/t17-/m1/s1
InChIKeyUJVNIOBCIFKAGB-QGZVFWFLSA-N
MW319.38 g/mol
LogP2.85
Rot. Bonds8

About (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol

(2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 52528617) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol
PubChem CID52528617
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name(2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CN(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO3/c1-20(16-7-5-15(19)6-8-16)11-17(21)13-23-12-14-3-9-18(22-2)10-4-14/h3-10,17,21H,11-13H2,1-2H3/t17-/m1/s1
InChIKeyUJVNIOBCIFKAGB-QGZVFWFLSA-N
XLogP2.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
(2S)-1-[(4-tert-butylphenyl)methyl-methylamino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 40652164
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 95232031
methyl 4-[(2-hydroxy-3-phenylmethoxypropyl)-methylamino]benzoate
CID 3810253
(2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164009
1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 18204350
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
(2S)-1-[(4-methoxyphenyl)methoxy]hept-6-yn-2-ol
CID 25195009
(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732497
1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 3786729

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol (CID 52528617) is (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol is COc1ccc(COC[C@H](O)CN(C)c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is UJVNIOBCIFKAGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-20(16-7-5-15(19)6-8-16)11-17(21)13-23-12-14-3-9-18(22-2)10-4-14/h3-10,17,21H,11-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
(2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 319.38 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 (2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 52528617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).