(2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

C20H29NO5 — CID 93160878

IUPAC(2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CN(Cc2ccco2)C[C@@H](O)COC(C)C)cc1OC
InChIInChI=1S/C20H29NO5/c1-15(2)26-14-17(22)12-21(13-18-6-5-9-25-18)11-16-7-8-19(23-3)20(10-16)24-4/h5-10,15,17,22H,11-14H2,1-4H3/t17-/m1/s1
InChIKeyZFUIBRAGKTXHPT-QGZVFWFLSA-N
MW363.45 g/mol
LogP3.08
Rot. Bonds11

About (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 93160878) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID93160878
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name(2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOc1ccc(CN(Cc2ccco2)C[C@@H](O)COC(C)C)cc1OC
InChIInChI=1S/C20H29NO5/c1-15(2)26-14-17(22)12-21(13-18-6-5-9-25-18)11-16-7-8-19(23-3)20(10-16)24-4/h5-10,15,17,22H,11-14H2,1-4H3/t17-/m1/s1
InChIKeyZFUIBRAGKTXHPT-QGZVFWFLSA-N
XLogP3.08
TPSA64.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46006854
1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-methylbutan-2-ol
CID 24713915
(2S)-1-[furan-2-ylmethyl-[(2-methoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164184
(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160909
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160824
1-[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 46007813
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006821
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006888
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
[(2S)-3-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93163907
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46006868

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 93160878) is (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is COc1ccc(CN(Cc2ccco2)C[C@@H](O)COC(C)C)cc1OC.
What is the InChIKey of (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ZFUIBRAGKTXHPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29NO5/c1-15(2)26-14-17(22)12-21(13-18-6-5-9-25-18)11-16-7-8-19(23-3)20(10-16)24-4/h5-10,15,17,22H,11-14H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 363.45 g/mol, XLogP of 3.08, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 93160878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).