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

C25H31NO2 — CID 46891266

IUPAC(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C25H31NO2/c1-19(21-9-5-4-6-10-21)28-18-24(27)17-26-25(2,3)16-20-13-14-22-11-7-8-12-23(22)15-20/h4-15,19,24,26-27H,16-18H2,1-3H3/t19?,24-/m1/s1
InChIKeyRPTGVFJOCOIEJI-JKSFWZLDSA-N
MW377.53 g/mol
LogP4.89
Rot. Bonds9

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

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol (PubChem CID 46891266) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol
PubChem CID46891266
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C25H31NO2/c1-19(21-9-5-4-6-10-21)28-18-24(27)17-26-25(2,3)16-20-13-14-22-11-7-8-12-23(22)15-20/h4-15,19,24,26-27H,16-18H2,1-3H3/t19?,24-/m1/s1
InChIKeyRPTGVFJOCOIEJI-JKSFWZLDSA-N
XLogP4.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.89
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-phenylethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol (CID 46891266) is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol is CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is RPTGVFJOCOIEJI-JKSFWZLDSA-N. The full InChI is InChI=1S/C25H31NO2/c1-19(21-9-5-4-6-10-21)28-18-24(27)17-26-25(2,3)16-20-13-14-22-11-7-8-12-23(22)15-20/h4-15,19,24,26-27H,16-18H2,1-3H3/t19?,24-/m1/s1.
What are the key properties of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol?
(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 377.53 g/mol, XLogP of 4.89, 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-phenylethoxy)propan-2-ol is sourced from PubChem (CID 46891266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).