(1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride

C149H239Cl3N14O20 — CID 157401120

About (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride

(1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride (PubChem CID 157401120) has the molecular formula C149H239Cl3N14O20 and a molecular weight of 2652.99 g/mol. Its IUPAC name is (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride.

Molecular Properties

• Compound Name: (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride
• PubChem CID: 157401120
• Molecular Formula: C149H239Cl3N14O20
• Molecular Weight: 2652.99 g/mol
• Exact Mass: 2649.72
• IUPAC Name: (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride
• SMILES: CCCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@@H](O)c1ccc2c(c1)OCCO2.CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)[C@@H](O)c1ccc2c(c1)OCCO2.CCCCCCCCCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@@H](O)c1ccc(OC)cc1.COc1ccc([C@H](O)[C@@H](N)CN2CCCC2)cc1.C[C@H](NC(CN1CCOCC1)[C@H](O)c1ccccc1)c1ccccc1.Cl.Cl.Cl.NC(CN1CCCC1)[C@@H](O)c1ccc2c(c1)OCCO2.NC(CN1CCOCC1)[C@H](O)c1ccccc1
• InChI: InChI=1S/C31H52N2O4.C30H52N2O3.C25H40N2O4.C21H28N2O2.C15H22N2O3.C14H22N2O2.C13H20N2O2.3ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-30(34)32-27(25-33-20-15-16-21-33)31(35)26-18-19-28-29(24-26)37-23-22-36-28;1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29(33)31-28(25-32-23-16-17-24-32)30(34)26-19-21-27(35-2)22-20-26;1-2-3-4-5-6-7-8-11-24(28)26-21(19-27-14-9-10-15-27)25(29)20-12-13-22-23(18-20)31-17-16-30-22;1-17(18-8-4-2-5-9-18)22-20(16-23-12-14-25-15-13-23)21(24)19-10-6-3-7-11-19;16-12(10-17-5-1-2-6-17)15(18)11-3-4-13-14(9-11)20-8-7-19-13;1-18-12-6-4-11(5-7-12)14(17)13(15)10-16-8-2-3-9-16;14-12(10-15-6-8-17-9-7-15)13(16)11-4-2-1-3-5-11;;;/h18-19,24,27,31,35H,2-17,20-23,25H2,1H3,(H,32,34);19-22,28,30,34H,3-18,23-25H2,1-2H3,(H,31,33);12-13,18,21,25,29H,2-11,14-17,19H2,1H3,(H,26,28);2-11,17,20-22,24H,12-16H2,1H3;3-4,9,12,15,18H,1-2,5-8,10,16H2;4-7,13-14,17H,2-3,8-10,15H2,1H3;1-5,12-13,16H,6-10,14H2;3*1H/t27?,31-;28-,30-;21-,25-;17-,20?,21+;12?,15-;13-,14-;12?,13-;;;/m0000001.../s1
• InChIKey: WZOYDCPUKCVZPP-KIQPJUANSA-N
• XLogP: 24.04
• TPSA: 433.98 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 72
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.99
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride?

The IUPAC name of (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride (CID 157401120) is (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride.

What is the SMILES notation for (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride?

The canonical SMILES for (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride is CCCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@@H](O)c1ccc2c(c1)OCCO2.CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)[C@@H](O)c1ccc2c(c1)OCCO2.CCCCCCCCCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@@H](O)c1ccc(OC)cc1.COc1ccc([C@H](O)[C@@H](N)CN2CCCC2)cc1.C[C@H](NC(CN1CCOCC1)[C@H](O)c1ccccc1)c1ccccc1.Cl.Cl.Cl.NC(CN1CCCC1)[C@@H](O)c1ccc2c(c1)OCCO2.NC(CN1CCOCC1)[C@H](O)c1ccccc1.

What is the InChIKey of (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride?

The InChIKey is WZOYDCPUKCVZPP-KIQPJUANSA-N. The full InChI is InChI=1S/C31H52N2O4.C30H52N2O3.C25H40N2O4.C21H28N2O2.C15H22N2O3.C14H22N2O2.C13H20N2O2.3ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-30(34)32-27(25-33-20-15-16-21-33)31(35)26-18-19-28-29(24-26)37-23-22-36-28;1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29(33)31-28(25-32-23-16-17-24-32)30(34)26-19-21-27(35-2)22-20-26;1-2-3-4-5-6-7-8-11-24(28)26-21(19-27-14-9-10-15-27)25(29)20-12-13-22-23(18-20)31-17-16-30-22;1-17(18-8-4-2-5-9-18)22-20(16-23-12-14-25-15-13-23)21(24)19-10-6-3-7-11-19;16-12(10-17-5-1-2-6-17)15(18)11-3-4-13-14(9-11)20-8-7-19-13;1-18-12-6-4-11(5-7-12)14(17)13(15)10-16-8-2-3-9-16;14-12(10-15-6-8-17-9-7-15)13(16)11-4-2-1-3-5-11;;;/h18-19,24,27,31,35H,2-17,20-23,25H2,1H3,(H,32,34);19-22,28,30,34H,3-18,23-25H2,1-2H3,(H,31,33);12-13,18,21,25,29H,2-11,14-17,19H2,1H3,(H,26,28);2-11,17,20-22,24H,12-16H2,1H3;3-4,9,12,15,18H,1-2,5-8,10,16H2;4-7,13-14,17H,2-3,8-10,15H2,1H3;1-5,12-13,16H,6-10,14H2;3*1H/t27?,31-;28-,30-;21-,25-;17-,20?,21+;12?,15-;13-,14-;12?,13-;;;/m0000001.../s1.

What are the key properties of (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride?

(1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride has a molecular weight of 2652.99 g/mol, XLogP of 24.04, 72 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride is sourced from PubChem (CID 157401120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).