(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol

C19H27NO5 — CID 9322549

IUPAC(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CN(C)Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C19H27NO5/c1-14-5-7-17(25-14)11-20(2)10-16(21)13-24-12-15-6-8-18(22-3)19(9-15)23-4/h5-9,16,21H,10-13H2,1-4H3/t16-/m1/s1
InChIKeyKQWCGCCEPANNIF-MRXNPFEDSA-N
MW349.43 g/mol
LogP2.61
Rot. Bonds10

About (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol

(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol (PubChem CID 9322549) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
PubChem CID9322549
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CN(C)Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C19H27NO5/c1-14-5-7-17(25-14)11-20(2)10-16(21)13-24-12-15-6-8-18(22-3)19(9-15)23-4/h5-9,16,21H,10-13H2,1-4H3/t16-/m1/s1
InChIKeyKQWCGCCEPANNIF-MRXNPFEDSA-N
XLogP2.61
TPSA64.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[2-methoxy-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 25378764
1-(azocan-1-yl)-3-[2-methoxy-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45184487
(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616
(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 7832325
1-[(3,4-dimethoxyphenyl)methoxy]-3-tri(propan-2-yl)silyloxypropan-2-ol
CID 67253770
(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-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114
[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-ethylazanium
CID 2104429
1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46006888
(2S)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 2082356
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24713531

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol (CID 9322549) is (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol is COc1ccc(COC[C@H](O)CN(C)Cc2ccc(C)o2)cc1OC.
What is the InChIKey of (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol?
The InChIKey is KQWCGCCEPANNIF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27NO5/c1-14-5-7-17(25-14)11-20(2)10-16(21)13-24-12-15-6-8-18(22-3)19(9-15)23-4/h5-9,16,21H,10-13H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol?
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol has a molecular weight of 349.43 g/mol, XLogP of 2.61, 10 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)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 9322549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).