(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol

C21H29NO5 — CID 93160404

IUPAC(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
SMILESCOCCN(Cc1cc(OC)cc(OC)c1)C[C@H](O)COc1ccccc1
InChIInChI=1S/C21H29NO5/c1-24-10-9-22(14-17-11-20(25-2)13-21(12-17)26-3)15-18(23)16-27-19-7-5-4-6-8-19/h4-8,11-13,18,23H,9-10,14-16H2,1-3H3/t18-/m0/s1
InChIKeyROMOLONFNZMISX-SFHVURJKSA-N
MW375.47 g/mol
LogP2.59
Rot. Bonds12

About (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol

(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol (PubChem CID 93160404) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
PubChem CID93160404
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
SMILESCOCCN(Cc1cc(OC)cc(OC)c1)C[C@H](O)COc1ccccc1
InChIInChI=1S/C21H29NO5/c1-24-10-9-22(14-17-11-20(25-2)13-21(12-17)26-3)15-18(23)16-27-19-7-5-4-6-8-19/h4-8,11-13,18,23H,9-10,14-16H2,1-3H3/t18-/m0/s1
InChIKeyROMOLONFNZMISX-SFHVURJKSA-N
XLogP2.59
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
(2S)-1-(4-chlorophenoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 93162860
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 95285904
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
1-[benzyl-[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 132585804
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
(2S)-1-[cyclopropyl-[(3,5-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93160470
(2S)-1-(4-methoxyphenoxy)-3-[(3-methoxyphenyl)methyl-(3-methylbutyl)amino]propan-2-ol
CID 93162938
1-[(3,5-dimethoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 46006745

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol (CID 93160404) is (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol is COCCN(Cc1cc(OC)cc(OC)c1)C[C@H](O)COc1ccccc1.
What is the InChIKey of (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is ROMOLONFNZMISX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29NO5/c1-24-10-9-22(14-17-11-20(25-2)13-21(12-17)26-3)15-18(23)16-27-19-7-5-4-6-8-19/h4-8,11-13,18,23H,9-10,14-16H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol?
(2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 375.47 g/mol, XLogP of 2.59, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93160404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).