(2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol

C21H27NO2 — CID 11957701

IUPAC(2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol
SMILESCCc1ccccc1OC[C@@H](O)CN[C@H]1CCc2ccccc2C1
InChIInChI=1S/C21H27NO2/c1-2-16-7-5-6-10-21(16)24-15-20(23)14-22-19-12-11-17-8-3-4-9-18(17)13-19/h3-10,19-20,22-23H,2,11-15H2,1H3/t19-,20-/m0/s1
InChIKeyZDWNVUUXKGJQMT-PMACEKPBSA-N
MW325.45 g/mol
LogP3.14
Rot. Bonds7

About (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol

(2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol (PubChem CID 11957701) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol
PubChem CID11957701
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol
SMILESCCc1ccccc1OC[C@@H](O)CN[C@H]1CCc2ccccc2C1
InChIInChI=1S/C21H27NO2/c1-2-16-7-5-6-10-21(16)24-15-20(23)14-22-19-12-11-17-8-3-4-9-18(17)13-19/h3-10,19-20,22-23H,2,11-15H2,1H3/t19-,20-/m0/s1
InChIKeyZDWNVUUXKGJQMT-PMACEKPBSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol (CID 11957701) is (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol is CCc1ccccc1OC[C@@H](O)CN[C@H]1CCc2ccccc2C1.
What is the InChIKey of (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol?
The InChIKey is ZDWNVUUXKGJQMT-PMACEKPBSA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-16-7-5-6-10-21(16)24-15-20(23)14-22-19-12-11-17-8-3-4-9-18(17)13-19/h3-10,19-20,22-23H,2,11-15H2,1H3/t19-,20-/m0/s1.
What are the key properties of (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol?
(2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol has a molecular weight of 325.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol is sourced from PubChem (CID 11957701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).