(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol

C29H33NO2 — CID 46891363

IUPAC(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol
SMILESCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc2ccccc12
InChIInChI=1S/C29H33NO2/c1-21(27-14-8-12-24-10-6-7-13-28(24)27)32-20-26(31)19-30-29(2,3)18-22-15-16-23-9-4-5-11-25(23)17-22/h4-17,21,26,30-31H,18-20H2,1-3H3/t21?,26-/m1/s1
InChIKeyJUIIDRHWLOGTIP-ZTDHTWSHSA-N
MW427.59 g/mol
LogP6.04
Rot. Bonds9

About (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol (PubChem CID 46891363) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol
PubChem CID46891363
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol
SMILESCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc2ccccc12
InChIInChI=1S/C29H33NO2/c1-21(27-14-8-12-24-10-6-7-13-28(24)27)32-20-26(31)19-30-29(2,3)18-22-15-16-23-9-4-5-11-25(23)17-22/h4-17,21,26,30-31H,18-20H2,1-3H3/t21?,26-/m1/s1
InChIKeyJUIIDRHWLOGTIP-ZTDHTWSHSA-N
XLogP6.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol (CID 46891363) is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol is CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc2ccccc12.
What is the InChIKey of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol?
The InChIKey is JUIIDRHWLOGTIP-ZTDHTWSHSA-N. The full InChI is InChI=1S/C29H33NO2/c1-21(27-14-8-12-24-10-6-7-13-28(24)27)32-20-26(31)19-30-29(2,3)18-22-15-16-23-9-4-5-11-25(23)17-22/h4-17,21,26,30-31H,18-20H2,1-3H3/t21?,26-/m1/s1.
What are the key properties of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol?
(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol has a molecular weight of 427.59 g/mol, XLogP of 6.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-naphthalen-1-ylethoxy)propan-2-ol is sourced from PubChem (CID 46891363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).