(1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol

C16H19FN2O — CID 44574883

IUPAC(1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol
SMILESCN(c1ccccc1)[C@@H](c1cccc(F)c1)[C@H](O)CN
InChIInChI=1S/C16H19FN2O/c1-19(14-8-3-2-4-9-14)16(15(20)11-18)12-6-5-7-13(17)10-12/h2-10,15-16,20H,11,18H2,1H3/t15-,16+/m1/s1
InChIKeyJZFGPXKITYCBJZ-CVEARBPZSA-N
MW274.34 g/mol
LogP2.32
Rot. Bonds5

About (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol

(1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol (PubChem CID 44574883) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol
PubChem CID44574883
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name(1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol
SMILESCN(c1ccccc1)[C@@H](c1cccc(F)c1)[C@H](O)CN
InChIInChI=1S/C16H19FN2O/c1-19(14-8-3-2-4-9-14)16(15(20)11-18)12-6-5-7-13(17)10-12/h2-10,15-16,20H,11,18H2,1H3/t15-,16+/m1/s1
InChIKeyJZFGPXKITYCBJZ-CVEARBPZSA-N
XLogP2.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol?
The IUPAC name of (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol (CID 44574883) is (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol.
What is the SMILES notation for (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol?
The canonical SMILES for (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol is CN(c1ccccc1)[C@@H](c1cccc(F)c1)[C@H](O)CN.
What is the InChIKey of (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol?
The InChIKey is JZFGPXKITYCBJZ-CVEARBPZSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(14-8-3-2-4-9-14)16(15(20)11-18)12-6-5-7-13(17)10-12/h2-10,15-16,20H,11,18H2,1H3/t15-,16+/m1/s1.
What are the key properties of (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol?
(1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol has a molecular weight of 274.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-amino-1-(3-fluorophenyl)-1-(N-methylanilino)propan-2-ol is sourced from PubChem (CID 44574883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).