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

C18H24N2O2 — CID 44574783

IUPAC(1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1OC
InChIInChI=1S/C18H24N2O2/c1-19-13-16(21)18(14-9-5-4-6-10-14)20(2)15-11-7-8-12-17(15)22-3/h4-12,16,18-19,21H,13H2,1-3H3/t16-,18+/m1/s1
InChIKeyNTKCCYPDVMIZQP-AEFFLSMTSA-N
MW300.40 g/mol
LogP2.45
Rot. Bonds7

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

(1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 44574783) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID44574783
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1OC
InChIInChI=1S/C18H24N2O2/c1-19-13-16(21)18(14-9-5-4-6-10-14)20(2)15-11-7-8-12-17(15)22-3/h4-12,16,18-19,21H,13H2,1-3H3/t16-,18+/m1/s1
InChIKeyNTKCCYPDVMIZQP-AEFFLSMTSA-N
XLogP2.45
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol (CID 44574783) is (1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol is CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1OC.
What is the InChIKey of (1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is NTKCCYPDVMIZQP-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19-13-16(21)18(14-9-5-4-6-10-14)20(2)15-11-7-8-12-17(15)22-3/h4-12,16,18-19,21H,13H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of (1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
(1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 300.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(2-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 44574783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).