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

C16H20N2O — CID 24897032

IUPAC(1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol
SMILESCN(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)CN
InChIInChI=1S/C16H20N2O/c1-18(14-10-6-3-7-11-14)16(15(19)12-17)13-8-4-2-5-9-13/h2-11,15-16,19H,12,17H2,1H3/t15-,16+/m1/s1
InChIKeyRNEOSZBYBZJIGX-CVEARBPZSA-N
MW256.35 g/mol
LogP2.18
Rot. Bonds5

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

(1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol (PubChem CID 24897032) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol
PubChem CID24897032
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol
SMILESCN(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)CN
InChIInChI=1S/C16H20N2O/c1-18(14-10-6-3-7-11-14)16(15(19)12-17)13-8-4-2-5-9-13/h2-11,15-16,19H,12,17H2,1H3/t15-,16+/m1/s1
InChIKeyRNEOSZBYBZJIGX-CVEARBPZSA-N
XLogP2.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.18
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-(N-methylanilino)-1-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol (CID 24897032) is (1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol is CN(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)CN.
What is the InChIKey of (1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol?
The InChIKey is RNEOSZBYBZJIGX-CVEARBPZSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(14-10-6-3-7-11-14)16(15(19)12-17)13-8-4-2-5-9-13/h2-11,15-16,19H,12,17H2,1H3/t15-,16+/m1/s1.
What are the key properties of (1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol?
(1S,2R)-3-amino-1-(N-methylanilino)-1-phenylpropan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 2.18, 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-(N-methylanilino)-1-phenylpropan-2-ol is sourced from PubChem (CID 24897032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).