(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol

C18H20Cl2FNO3 — CID 31580914

IUPAC(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
SMILESCOc1ccc([C@@H](C)NC[C@H](O)COc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C18H20Cl2FNO3/c1-11(12-3-5-18(24-2)16(21)7-12)22-9-14(23)10-25-17-6-4-13(19)8-15(17)20/h3-8,11,14,22-23H,9-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyUIQJNNWYSSZNKL-RISCZKNCSA-N
MW388.27 g/mol
LogP4.23
Rot. Bonds8

About (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol

(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol (PubChem CID 31580914) has the molecular formula C18H20Cl2FNO3 and a molecular weight of 388.27 g/mol. Its IUPAC name is (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
PubChem CID31580914
Molecular FormulaC18H20Cl2FNO3
Molecular Weight388.27 g/mol
Exact Mass387.08
IUPAC Name(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
SMILESCOc1ccc([C@@H](C)NC[C@H](O)COc2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C18H20Cl2FNO3/c1-11(12-3-5-18(24-2)16(21)7-12)22-9-14(23)10-25-17-6-4-13(19)8-15(17)20/h3-8,11,14,22-23H,9-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyUIQJNNWYSSZNKL-RISCZKNCSA-N
XLogP4.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
CID 60902173
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 113389754
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-[1-(3-chlorophenyl)ethylamino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 138960452
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 22327662
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61172596

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol (CID 31580914) is (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol is COc1ccc([C@@H](C)NC[C@H](O)COc2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol?
The InChIKey is UIQJNNWYSSZNKL-RISCZKNCSA-N. The full InChI is InChI=1S/C18H20Cl2FNO3/c1-11(12-3-5-18(24-2)16(21)7-12)22-9-14(23)10-25-17-6-4-13(19)8-15(17)20/h3-8,11,14,22-23H,9-10H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol?
(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol has a molecular weight of 388.27 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 31580914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).