(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol

C18H21ClFNO2 — CID 2118266

IUPAC(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@H](O)COCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H21ClFNO2/c1-13(14-6-8-16(20)9-7-14)21-10-17(22)12-23-11-15-4-2-3-5-18(15)19/h2-9,13,17,21-22H,10-12H2,1H3/t13-,17-/m0/s1
InChIKeyZQRYXHCUIMRGJD-GUYCJALGSA-N
MW337.82 g/mol
LogP3.71
Rot. Bonds8

About (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol

(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol (PubChem CID 2118266) has the molecular formula C18H21ClFNO2 and a molecular weight of 337.82 g/mol. Its IUPAC name is (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
PubChem CID2118266
Molecular FormulaC18H21ClFNO2
Molecular Weight337.82 g/mol
Exact Mass337.12
IUPAC Name(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NC[C@H](O)COCc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H21ClFNO2/c1-13(14-6-8-16(20)9-7-14)21-10-17(22)12-23-11-15-4-2-3-5-18(15)19/h2-9,13,17,21-22H,10-12H2,1H3/t13-,17-/m0/s1
InChIKeyZQRYXHCUIMRGJD-GUYCJALGSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81348160
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
2-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51958272
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989639
(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 2561544
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol
CID 40654769
1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 110877386

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol (CID 2118266) is (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol is C[C@H](NC[C@H](O)COCc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
The InChIKey is ZQRYXHCUIMRGJD-GUYCJALGSA-N. The full InChI is InChI=1S/C18H21ClFNO2/c1-13(14-6-8-16(20)9-7-14)21-10-17(22)12-23-11-15-4-2-3-5-18(15)19/h2-9,13,17,21-22H,10-12H2,1H3/t13-,17-/m0/s1.
What are the key properties of (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol has a molecular weight of 337.82 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 2118266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).