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

C24H29NO2 — CID 46891265

IUPAC(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COCc1ccccc1
InChIInChI=1S/C24H29NO2/c1-24(2,15-20-12-13-21-10-6-7-11-22(21)14-20)25-16-23(26)18-27-17-19-8-4-3-5-9-19/h3-14,23,25-26H,15-18H2,1-2H3/t23-/m1/s1
InChIKeyKQTYBPIMGOZTAQ-HSZRJFAPSA-N
MW363.50 g/mol
LogP4.33
Rot. Bonds9

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

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 46891265) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID46891265
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COCc1ccccc1
InChIInChI=1S/C24H29NO2/c1-24(2,15-20-12-13-21-10-6-7-11-22(21)14-20)25-16-23(26)18-27-17-19-8-4-3-5-9-19/h3-14,23,25-26H,15-18H2,1-2H3/t23-/m1/s1
InChIKeyKQTYBPIMGOZTAQ-HSZRJFAPSA-N
XLogP4.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.33
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-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol (CID 46891265) is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol is CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is KQTYBPIMGOZTAQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H29NO2/c1-24(2,15-20-12-13-21-10-6-7-11-22(21)14-20)25-16-23(26)18-27-17-19-8-4-3-5-9-19/h3-14,23,25-26H,15-18H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol?
(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 363.50 g/mol, XLogP of 4.33, 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-phenylmethoxypropan-2-ol is sourced from PubChem (CID 46891265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).