(2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol

C21H24N2O — CID 100615228

IUPAC(2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol
SMILESCN(CCc1ccncc1)C[C@@H](O)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H24N2O/c1-23(13-10-17-8-11-22-12-9-17)16-21(24)15-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,11-12,14,21,24H,10,13,15-16H2,1H3/t21-/m0/s1
InChIKeyUTSJDHXPHSPAAI-NRFANRHFSA-N
MW320.44 g/mol
LogP3.31
Rot. Bonds7

About (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol

(2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol (PubChem CID 100615228) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol
PubChem CID100615228
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol
SMILESCN(CCc1ccncc1)C[C@@H](O)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H24N2O/c1-23(13-10-17-8-11-22-12-9-17)16-21(24)15-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,11-12,14,21,24H,10,13,15-16H2,1H3/t21-/m0/s1
InChIKeyUTSJDHXPHSPAAI-NRFANRHFSA-N
XLogP3.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol?
The IUPAC name of (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol (CID 100615228) is (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol is CN(CCc1ccncc1)C[C@@H](O)Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol?
The InChIKey is UTSJDHXPHSPAAI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O/c1-23(13-10-17-8-11-22-12-9-17)16-21(24)15-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,11-12,14,21,24H,10,13,15-16H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol?
(2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol has a molecular weight of 320.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl(2-pyridin-4-ylethyl)amino]-3-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 100615228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).