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

C20H34N2O3 — CID 93162210

IUPAC(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCc1cccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)C)c1
InChIInChI=1S/C20H34N2O3/c1-17(2)25-16-20(23)15-22(8-7-21-9-11-24-12-10-21)14-19-6-4-5-18(3)13-19/h4-6,13,17,20,23H,7-12,14-16H2,1-3H3/t20-/m1/s1
InChIKeyRPYNDNNOOHOKBT-HXUWFJFHSA-N
MW350.50 g/mol
LogP1.92
Rot. Bonds10

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

(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 93162210) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is (2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID93162210
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCc1cccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)C)c1
InChIInChI=1S/C20H34N2O3/c1-17(2)25-16-20(23)15-22(8-7-21-9-11-24-12-10-21)14-19-6-4-5-18(3)13-19/h4-6,13,17,20,23H,7-12,14-16H2,1-3H3/t20-/m1/s1
InChIKeyRPYNDNNOOHOKBT-HXUWFJFHSA-N
XLogP1.92
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pentan-2-ol
CID 24714634
(2S)-1-(4-methoxyphenoxy)-3-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93162217
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylpropan-2-ol
CID 93162213
(2R)-1-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 93163691
1-[(4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007586
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
(2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 98630730
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]propan-2-ol
CID 93163251
(2R)-1-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164054
(2S)-1-[benzyl(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93161388
(2S)-1-[(2,4-dimethylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93162329
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006821

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 93162210) is (2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol is Cc1cccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)C)c1.
What is the InChIKey of (2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is RPYNDNNOOHOKBT-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-17(2)25-16-20(23)15-22(8-7-21-9-11-24-12-10-21)14-19-6-4-5-18(3)13-19/h4-6,13,17,20,23H,7-12,14-16H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 350.50 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 93162210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).