(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol

C18H21ClFNO2 — CID 2532709

IUPAC(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1cccc(F)c1)C[C@H](O)COCc1ccccc1Cl
InChIInChI=1S/C18H21ClFNO2/c1-21(10-14-5-4-7-16(20)9-14)11-17(22)13-23-12-15-6-2-3-8-18(15)19/h2-9,17,22H,10-13H2,1H3/t17-/m0/s1
InChIKeyAXEFYUGOQLDPLF-KRWDZBQOSA-N
MW337.82 g/mol
LogP3.49
Rot. Bonds8

About (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol

(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol (PubChem CID 2532709) has the molecular formula C18H21ClFNO2 and a molecular weight of 337.82 g/mol. Its IUPAC name is (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
PubChem CID2532709
Molecular FormulaC18H21ClFNO2
Molecular Weight337.82 g/mol
Exact Mass337.12
IUPAC Name(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1cccc(F)c1)C[C@H](O)COCc1ccccc1Cl
InChIInChI=1S/C18H21ClFNO2/c1-21(10-14-5-4-7-16(20)9-14)11-17(22)13-23-12-15-6-2-3-8-18(15)19/h2-9,17,22H,10-13H2,1H3/t17-/m0/s1
InChIKeyAXEFYUGOQLDPLF-KRWDZBQOSA-N
XLogP3.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 110909172
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 78805385
1-[(2-chlorophenyl)methoxy]-3-(3-fluoroanilino)propan-2-ol
CID 60897189
1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 110877328
4-amino-1-[(3-fluorophenyl)methyl-methylamino]butan-2-ol
CID 117039251
1-(1,3-benzodioxol-5-ylmethoxy)-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 51160302
methyl 4-[(3-fluorophenyl)methyl-methylamino]-3-hydroxybutanoate
CID 115123397
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844
1-[(3-methoxyphenyl)methoxy]-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 78782772
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol
CID 111487359
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 55374090

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol (CID 2532709) is (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol is CN(Cc1cccc(F)c1)C[C@H](O)COCc1ccccc1Cl.
What is the InChIKey of (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol?
The InChIKey is AXEFYUGOQLDPLF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21ClFNO2/c1-21(10-14-5-4-7-16(20)9-14)11-17(22)13-23-12-15-6-2-3-8-18(15)19/h2-9,17,22H,10-13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol?
(2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol has a molecular weight of 337.82 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-chlorophenyl)methoxy]-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 2532709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).