(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol

C21H21ClFNO3 — CID 35767703

IUPAC(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
SMILESO[C@H](COc1ccc(Cl)cc1)CN(Cc1cccc(F)c1)Cc1ccco1
InChIInChI=1S/C21H21ClFNO3/c22-17-6-8-20(9-7-17)27-15-19(25)13-24(14-21-5-2-10-26-21)12-16-3-1-4-18(23)11-16/h1-11,19,25H,12-15H2/t19-/m0/s1
InChIKeyJFBUPNSEJLOYHQ-IBGZPJMESA-N
MW389.85 g/mol
LogP4.51
Rot. Bonds9

About (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol

(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol (PubChem CID 35767703) has the molecular formula C21H21ClFNO3 and a molecular weight of 389.85 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
PubChem CID35767703
Molecular FormulaC21H21ClFNO3
Molecular Weight389.85 g/mol
Exact Mass389.12
IUPAC Name(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
SMILESO[C@H](COc1ccc(Cl)cc1)CN(Cc1cccc(F)c1)Cc1ccco1
InChIInChI=1S/C21H21ClFNO3/c22-17-6-8-20(9-7-17)27-15-19(25)13-24(14-21-5-2-10-26-21)12-16-3-1-4-18(23)11-16/h1-11,19,25H,12-15H2/t19-/m0/s1
InChIKeyJFBUPNSEJLOYHQ-IBGZPJMESA-N
XLogP4.51
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol with MolForge

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Related Compounds

1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007950
(2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
CID 93164886
1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46007913
1-(4-chlorophenoxy)-3-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
CID 42837034
(2S)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]hex-5-en-2-ol
CID 93164898
1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 42682308
(2S)-1-(4-chlorophenoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 93162860
(2R)-1-[[5-(3-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(furan-2-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93219542
(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164063
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652
(2S)-1-[benzyl(2-methylpropyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 93161416
1-(3-bromophenoxy)-3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 17475733

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol (CID 35767703) is (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol is O[C@H](COc1ccc(Cl)cc1)CN(Cc1cccc(F)c1)Cc1ccco1.
What is the InChIKey of (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is JFBUPNSEJLOYHQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21ClFNO3/c22-17-6-8-20(9-7-17)27-15-19(25)13-24(14-21-5-2-10-26-21)12-16-3-1-4-18(23)11-16/h1-11,19,25H,12-15H2/t19-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol?
(2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 389.85 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenoxy)-3-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 35767703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).