[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol

C14H18N2O2 — CID 113297533

IUPAC[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
SMILESCN(C)c1cccc(NCc2ccc(CO)o2)c1
InChIInChI=1S/C14H18N2O2/c1-16(2)12-5-3-4-11(8-12)15-9-13-6-7-14(10-17)18-13/h3-8,15,17H,9-10H2,1-2H3
InChIKeyUCOLQAVTOYPLIC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds5

About [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol

[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol (PubChem CID 113297533) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
PubChem CID113297533
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
SMILESCN(C)c1cccc(NCc2ccc(CO)o2)c1
InChIInChI=1S/C14H18N2O2/c1-16(2)12-5-3-4-11(8-12)15-9-13-6-7-14(10-17)18-13/h3-8,15,17H,9-10H2,1-2H3
InChIKeyUCOLQAVTOYPLIC-UHFFFAOYSA-N
XLogP2.45
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(5-iodofuran-2-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297515
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate
CID 78914081
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
CID 64578011
[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
CID 64578003
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
CID 43771076
2-[[3-(dimethylamino)anilino]methyl]benzamide
CID 115377923
[5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol
CID 97093121

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol (CID 113297533) is [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol is CN(C)c1cccc(NCc2ccc(CO)o2)c1.
What is the InChIKey of [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol?
The InChIKey is UCOLQAVTOYPLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(2)12-5-3-4-11(8-12)15-9-13-6-7-14(10-17)18-13/h3-8,15,17H,9-10H2,1-2H3.
What are the key properties of [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol?
[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 113297533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).