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

C17H22N2O — CID 24897268

IUPAC(1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17+/m1/s1
InChIKeyKWAYIPPRBHZSBU-SJORKVTESA-N
MW270.38 g/mol
LogP2.44
Rot. Bonds6

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

(1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol (PubChem CID 24897268) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol
PubChem CID24897268
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17+/m1/s1
InChIKeyKWAYIPPRBHZSBU-SJORKVTESA-N
XLogP2.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol (CID 24897268) is (1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol is CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of (1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol?
The InChIKey is KWAYIPPRBHZSBU-SJORKVTESA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol?
(1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol has a molecular weight of 270.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol is sourced from PubChem (CID 24897268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).