(2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C19H33NO3 — CID 93161684

IUPAC(2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOCCN(Cc1cc(C)ccc1C)C[C@@H](O)COC(C)(C)C
InChIInChI=1S/C19H33NO3/c1-15-7-8-16(2)17(11-15)12-20(9-10-22-6)13-18(21)14-23-19(3,4)5/h7-8,11,18,21H,9-10,12-14H2,1-6H3/t18-/m1/s1
InChIKeyJLRKOLOCNNMTDI-GOSISDBHSA-N
MW323.48 g/mol
LogP2.93
Rot. Bonds9

About (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

(2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 93161684) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID93161684
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name(2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCOCCN(Cc1cc(C)ccc1C)C[C@@H](O)COC(C)(C)C
InChIInChI=1S/C19H33NO3/c1-15-7-8-16(2)17(11-15)12-20(9-10-22-6)13-18(21)14-23-19(3,4)5/h7-8,11,18,21H,9-10,12-14H2,1-6H3/t18-/m1/s1
InChIKeyJLRKOLOCNNMTDI-GOSISDBHSA-N
XLogP2.93
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93161162
1-[3-methoxypropyl-[(3-methylphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24714136
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164724
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 42682221
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682220
(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 24713590
[(2S)-2-hydroxy-3-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]propyl] butanoate
CID 93162735
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 62539688
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162626
1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24712861

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 93161684) is (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is COCCN(Cc1cc(C)ccc1C)C[C@@H](O)COC(C)(C)C.
What is the InChIKey of (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is JLRKOLOCNNMTDI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H33NO3/c1-15-7-8-16(2)17(11-15)12-20(9-10-22-6)13-18(21)14-23-19(3,4)5/h7-8,11,18,21H,9-10,12-14H2,1-6H3/t18-/m1/s1.
What are the key properties of (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
(2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 93161684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).