(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol

C18H23NO3 — CID 7025078

IUPAC(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESCOc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-14(15-6-4-3-5-7-15)19-12-16(20)13-22-18-10-8-17(21-2)9-11-18/h3-11,14,16,19-20H,12-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyGQVJMDGZRNGSQJ-HOCLYGCPSA-N
MW301.39 g/mol
LogP2.79
Rot. Bonds8

About (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol

(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol (PubChem CID 7025078) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
PubChem CID7025078
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESCOc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-14(15-6-4-3-5-7-15)19-12-16(20)13-22-18-10-8-17(21-2)9-11-18/h3-11,14,16,19-20H,12-13H2,1-2H3/t14-,16-/m0/s1
InChIKeyGQVJMDGZRNGSQJ-HOCLYGCPSA-N
XLogP2.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol with MolForge

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Related Compounds

N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
CID 40616157
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
1-(3,4-dimethylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237830
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol (CID 7025078) is (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol is COc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is GQVJMDGZRNGSQJ-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H23NO3/c1-14(15-6-4-3-5-7-15)19-12-16(20)13-22-18-10-8-17(21-2)9-11-18/h3-11,14,16,19-20H,12-13H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 7025078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).