(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C20H29NO6 — CID 93161562

IUPAC(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COCc1ccco1
InChIInChI=1S/C20H29NO6/c1-23-11-9-21(12-16-6-4-8-19(24-2)20(16)25-3)13-17(22)14-26-15-18-7-5-10-27-18/h4-8,10,17,22H,9,11-15H2,1-3H3/t17-/m1/s1
InChIKeyJGUQVQNKWKEGJI-QGZVFWFLSA-N
MW379.45 g/mol
LogP2.32
Rot. Bonds13

About (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 93161562) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID93161562
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Name(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCOCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COCc1ccco1
InChIInChI=1S/C20H29NO6/c1-23-11-9-21(12-16-6-4-8-19(24-2)20(16)25-3)13-17(22)14-26-15-18-7-5-10-27-18/h4-8,10,17,22H,9,11-15H2,1-3H3/t17-/m1/s1
InChIKeyJGUQVQNKWKEGJI-QGZVFWFLSA-N
XLogP2.32
TPSA73.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164559
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93161579
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
1-(furan-2-ylmethoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 24713597
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]butan-2-ol
CID 93161575
1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 46007813
1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46007047
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164563
1-[furan-2-ylmethyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713625
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682220
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160750

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 93161562) is (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is COCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COCc1ccco1.
What is the InChIKey of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is JGUQVQNKWKEGJI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29NO6/c1-23-11-9-21(12-16-6-4-8-19(24-2)20(16)25-3)13-17(22)14-26-15-18-7-5-10-27-18/h4-8,10,17,22H,9,11-15H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 379.45 g/mol, XLogP of 2.32, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 93161562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).