(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol

C23H32N2O3 — CID 93163691

IUPAC(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
SMILESCc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COc2ccccc2)cc1
InChIInChI=1S/C23H32N2O3/c1-20-7-9-21(10-8-20)17-25(12-11-24-13-15-27-16-14-24)18-22(26)19-28-23-5-3-2-4-6-23/h2-10,22,26H,11-19H2,1H3/t22-/m1/s1
InChIKeyPQMJVBDUCNVJPC-JOCHJYFZSA-N
MW384.52 g/mol
LogP2.57
Rot. Bonds10

About (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol

(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol (PubChem CID 93163691) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
PubChem CID93163691
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
SMILESCc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COc2ccccc2)cc1
InChIInChI=1S/C23H32N2O3/c1-20-7-9-21(10-8-20)17-25(12-11-24-13-15-27-16-14-24)18-22(26)19-28-23-5-3-2-4-6-23/h2-10,22,26H,11-19H2,1H3/t22-/m1/s1
InChIKeyPQMJVBDUCNVJPC-JOCHJYFZSA-N
XLogP2.57
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93162217
1-[2-morpholin-4-ylethyl(thiophen-2-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 46007761
(2R)-1-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164054
1-[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 42682366
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylpropan-2-ol
CID 93162213
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162210
1-[(4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007586
(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93161388
1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol
CID 24714634
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol (CID 93163691) is (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol is Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COc2ccccc2)cc1.
What is the InChIKey of (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is PQMJVBDUCNVJPC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-20-7-9-21(10-8-20)17-25(12-11-24-13-15-27-16-14-24)18-22(26)19-28-23-5-3-2-4-6-23/h2-10,22,26H,11-19H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol?
(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 384.52 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93163691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).