(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol

C19H33NO5 — CID 93161589

IUPAC(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COC(C)C
InChIInChI=1S/C19H33NO5/c1-15(2)25-14-17(21)13-20(10-7-11-22-3)12-16-8-6-9-18(23-4)19(16)24-5/h6,8-9,15,17,21H,7,10-14H2,1-5H3/t17-/m1/s1
InChIKeyXTHDQQPHZDRANR-QGZVFWFLSA-N
MW355.48 g/mol
LogP2.33
Rot. Bonds13

About (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 93161589) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID93161589
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Name(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COC(C)C
InChIInChI=1S/C19H33NO5/c1-15(2)25-14-17(21)13-20(10-7-11-22-3)12-16-8-6-9-18(23-4)19(16)24-5/h6,8-9,15,17,21H,7,10-14H2,1-5H3/t17-/m1/s1
InChIKeyXTHDQQPHZDRANR-QGZVFWFLSA-N
XLogP2.33
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2,3-dimethoxyphenyl)methyl-propylamino]-3-propan-2-yloxypropan-2-ol
CID 93161613
1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46007047
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161532
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713651
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577
1-(4-chlorophenoxy)-3-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]propan-2-ol
CID 46007052
1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 46007813
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]butan-2-ol
CID 93161575
1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 24713571
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93161579
1-[(2-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-propan-2-yloxypropan-2-ol
CID 42836968
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161653

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol (CID 93161589) is (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol is COCCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COC(C)C.
What is the InChIKey of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is XTHDQQPHZDRANR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H33NO5/c1-15(2)25-14-17(21)13-20(10-7-11-22-3)12-16-8-6-9-18(23-4)19(16)24-5/h6,8-9,15,17,21H,7,10-14H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 355.48 g/mol, XLogP of 2.33, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 93161589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).