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

C17H24N2O2 — CID 64580557

IUPAC[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol
SMILESCCN(CC)Cc1ccccc1NCc1ccc(CO)o1
InChIInChI=1S/C17H24N2O2/c1-3-19(4-2)12-14-7-5-6-8-17(14)18-11-15-9-10-16(13-20)21-15/h5-10,18,20H,3-4,11-13H2,1-2H3
InChIKeyLQHUCBDOMURWEQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.23
Rot. Bonds8

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

[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol (PubChem CID 64580557) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol
PubChem CID64580557
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol
SMILESCCN(CC)Cc1ccccc1NCc1ccc(CO)o1
InChIInChI=1S/C17H24N2O2/c1-3-19(4-2)12-14-7-5-6-8-17(14)18-11-15-9-10-16(13-20)21-15/h5-10,18,20H,3-4,11-13H2,1-2H3
InChIKeyLQHUCBDOMURWEQ-UHFFFAOYSA-N
XLogP3.23
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
N-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 62345794
3-[[2-(diethylaminomethyl)anilino]methyl]phenol
CID 43729325
2-(diethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 43729313
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
2-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399592
2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline
CID 62386684
2-(diethylaminomethyl)-N-heptylaniline
CID 43729328
N'-tert-butyl-N-[2-(diethylaminomethyl)phenyl]ethane-1,2-diamine
CID 107445154
N-[2-(diethylaminomethyl)phenyl]-2-methoxypropanamide
CID 112685894

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol (CID 64580557) is [5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol is CCN(CC)Cc1ccccc1NCc1ccc(CO)o1.
What is the InChIKey of [5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol?
The InChIKey is LQHUCBDOMURWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-19(4-2)12-14-7-5-6-8-17(14)18-11-15-9-10-16(13-20)21-15/h5-10,18,20H,3-4,11-13H2,1-2H3.
What are the key properties of [5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol?
[5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol has a molecular weight of 288.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(diethylaminomethyl)anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64580557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).