1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

C21H30N2O4 — CID 45216875

IUPAC1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(CNCc2ccc(C)o2)cc1OCC(O)CN1CCCC1
InChIInChI=1S/C21H30N2O4/c1-16-5-7-19(27-16)13-22-12-17-6-8-20(25-2)21(11-17)26-15-18(24)14-23-9-3-4-10-23/h5-8,11,18,22,24H,3-4,9-10,12-15H2,1-2H3
InChIKeyWAXAMTJYRPBUII-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.72
Rot. Bonds10

About 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 45216875) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID45216875
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1ccc(CNCc2ccc(C)o2)cc1OCC(O)CN1CCCC1
InChIInChI=1S/C21H30N2O4/c1-16-5-7-19(27-16)13-22-12-17-6-8-20(25-2)21(11-17)26-15-18(24)14-23-9-3-4-10-23/h5-8,11,18,22,24H,3-4,9-10,12-15H2,1-2H3
InChIKeyWAXAMTJYRPBUII-UHFFFAOYSA-N
XLogP2.72
TPSA67.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol with MolForge

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Related Compounds

1-(azocan-1-yl)-3-[2-methoxy-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45184487
(2S)-1-[2-methoxy-5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 42591294
1-[2-methoxy-5-[[(3-methylphenyl)methylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45192086
1-[5-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 74229800
1-(azocan-1-yl)-3-[2-methoxy-5-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 45242332
(2R)-1-[2-methoxy-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 25378764
1-[2-methoxy-5-[[2-(4-methylphenyl)ethylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45181161
1-(azocan-1-yl)-3-[5-[[(3-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45223808
(2R)-1-[2-methoxy-5-[(2-methylsulfanylethylamino)methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 25309015
(2R)-1-(azocan-1-yl)-3-[2-methoxy-4-[[(3-methylphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 42303255
(2R)-1-[5-[[(2,5-difluorophenyl)methylamino]methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 42244130
1-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45248809

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 45216875) is 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is COc1ccc(CNCc2ccc(C)o2)cc1OCC(O)CN1CCCC1.
What is the InChIKey of 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is WAXAMTJYRPBUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-16-5-7-19(27-16)13-22-12-17-6-8-20(25-2)21(11-17)26-15-18(24)14-23-9-3-4-10-23/h5-8,11,18,22,24H,3-4,9-10,12-15H2,1-2H3.
What are the key properties of 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 374.48 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-[[(5-methylfuran-2-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 45216875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).