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

C24H30N2O2 — CID 46891322

IUPAC(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol
SMILESCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccn1
InChIInChI=1S/C24H30N2O2/c1-18(23-10-6-7-13-25-23)28-17-22(27)16-26-24(2,3)15-19-11-12-20-8-4-5-9-21(20)14-19/h4-14,18,22,26-27H,15-17H2,1-3H3/t18?,22-/m1/s1
InChIKeyNPVKQRBIYIVQQU-LMNIDFBRSA-N
MW378.52 g/mol
LogP4.28
Rot. Bonds9

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

(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol (PubChem CID 46891322) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol
PubChem CID46891322
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol
SMILESCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccn1
InChIInChI=1S/C24H30N2O2/c1-18(23-10-6-7-13-25-23)28-17-22(27)16-26-24(2,3)15-19-11-12-20-8-4-5-9-21(20)14-19/h4-14,18,22,26-27H,15-17H2,1-3H3/t18?,22-/m1/s1
InChIKeyNPVKQRBIYIVQQU-LMNIDFBRSA-N
XLogP4.28
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-pyridin-2-ylethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol (CID 46891322) is (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol is CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccn1.
What is the InChIKey of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol?
The InChIKey is NPVKQRBIYIVQQU-LMNIDFBRSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(23-10-6-7-13-25-23)28-17-22(27)16-26-24(2,3)15-19-11-12-20-8-4-5-9-21(20)14-19/h4-14,18,22,26-27H,15-17H2,1-3H3/t18?,22-/m1/s1.
What are the key properties of (2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol?
(2R)-1-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]-3-(1-pyridin-2-ylethoxy)propan-2-ol has a molecular weight of 378.52 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 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-pyridin-2-ylethoxy)propan-2-ol is sourced from PubChem (CID 46891322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).