[5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol

C19H26N2O3 — CID 97093121

IUPAC[5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol
SMILESC[C@@H]1CN(Cc2cccc(NCc3ccc(CO)o3)c2)C[C@@H](C)O1
InChIInChI=1S/C19H26N2O3/c1-14-10-21(11-15(2)23-14)12-16-4-3-5-17(8-16)20-9-18-6-7-19(13-22)24-18/h3-8,14-15,20,22H,9-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyCGIGCMMHPGSDDP-HUUCEWRRSA-N
MW330.43 g/mol
LogP2.99
Rot. Bonds6

About [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol

[5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol (PubChem CID 97093121) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol
PubChem CID97093121
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol
SMILESC[C@@H]1CN(Cc2cccc(NCc3ccc(CO)o3)c2)C[C@@H](C)O1
InChIInChI=1S/C19H26N2O3/c1-14-10-21(11-15(2)23-14)12-16-4-3-5-17(8-16)20-9-18-6-7-19(13-22)24-18/h3-8,14-15,20,22H,9-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyCGIGCMMHPGSDDP-HUUCEWRRSA-N
XLogP2.99
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 97060320
N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62438146
4-(aminomethyl)-N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120942112
[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol
CID 43715050
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
4-(aminomethyl)-N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxane-4-carboxamide
CID 120942113
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 84758606
5-[[3-(hydroxymethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316697
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440

Frequently Asked Questions

What is the IUPAC name of [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol (CID 97093121) is [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol is C[C@@H]1CN(Cc2cccc(NCc3ccc(CO)o3)c2)C[C@@H](C)O1.
What is the InChIKey of [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol?
The InChIKey is CGIGCMMHPGSDDP-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-10-21(11-15(2)23-14)12-16-4-3-5-17(8-16)20-9-18-6-7-19(13-22)24-18/h3-8,14-15,20,22H,9-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol?
[5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol has a molecular weight of 330.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 97093121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).