(1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol

C21H24N2O — CID 44574784

IUPAC(1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1cccc2ccccc12
InChIInChI=1S/C21H24N2O/c1-22-15-20(24)21(17-10-4-3-5-11-17)23(2)19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-22,24H,15H2,1-2H3/t20-,21+/m1/s1
InChIKeyRLUHSIYRINOGAT-RTWAWAEBSA-N
MW320.44 g/mol
LogP3.60
Rot. Bonds6

About (1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol

(1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol (PubChem CID 44574784) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol
PubChem CID44574784
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1cccc2ccccc12
InChIInChI=1S/C21H24N2O/c1-22-15-20(24)21(17-10-4-3-5-11-17)23(2)19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-22,24H,15H2,1-2H3/t20-,21+/m1/s1
InChIKeyRLUHSIYRINOGAT-RTWAWAEBSA-N
XLogP3.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.60
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-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol (CID 44574784) is (1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol is CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1cccc2ccccc12.
What is the InChIKey of (1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol?
The InChIKey is RLUHSIYRINOGAT-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H24N2O/c1-22-15-20(24)21(17-10-4-3-5-11-17)23(2)19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-22,24H,15H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of (1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol?
(1S,2R)-3-(methylamino)-1-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol has a molecular weight of 320.44 g/mol, XLogP of 3.60, 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-[methyl(naphthalen-1-yl)amino]-1-phenylpropan-2-ol is sourced from PubChem (CID 44574784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).