(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol

C20H27NO3 — CID 125487724

IUPAC(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol
SMILESCCc1ccccc1OC[C@H](O)CN[C@@H](C)COc1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-17-9-7-8-12-20(17)24-15-18(22)13-21-16(2)14-23-19-10-5-4-6-11-19/h4-12,16,18,21-22H,3,13-15H2,1-2H3/t16-,18+/m0/s1
InChIKeyPBMJHCAIXUKGQH-FUHWJXTLSA-N
MW329.44 g/mol
LogP3.05
Rot. Bonds10

About (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol

(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol (PubChem CID 125487724) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol
PubChem CID125487724
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol
SMILESCCc1ccccc1OC[C@H](O)CN[C@@H](C)COc1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-17-9-7-8-12-20(17)24-15-18(22)13-21-16(2)14-23-19-10-5-4-6-11-19/h4-12,16,18,21-22H,3,13-15H2,1-2H3/t16-,18+/m0/s1
InChIKeyPBMJHCAIXUKGQH-FUHWJXTLSA-N
XLogP3.05
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-(2-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43173825
1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
2-[(2-hydroxy-3-phenoxypropyl)amino]-N-methylpropanamide
CID 54950769
(2S,3S)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-methylpentanoic acid
CID 51412077
(2R)-1-[[(2R)-1-[4-[(2R)-2-aminopropyl]phenyl]propan-2-yl]amino]-3-phenoxypropan-2-ol
CID 70462176
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol (CID 125487724) is (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol is CCc1ccccc1OC[C@H](O)CN[C@@H](C)COc1ccccc1.
What is the InChIKey of (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol?
The InChIKey is PBMJHCAIXUKGQH-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-17-9-7-8-12-20(17)24-15-18(22)13-21-16(2)14-23-19-10-5-4-6-11-19/h4-12,16,18,21-22H,3,13-15H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol?
(2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylphenoxy)-3-[[(2S)-1-phenoxypropan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 125487724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).