N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine

C20H29NO4 — CID 91649944

IUPACN-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine
SMILESCCOC(COc1ccccc1CN(CC)Cc1ccoc1)OCC
InChIInChI=1S/C20H29NO4/c1-4-21(13-17-11-12-22-15-17)14-18-9-7-8-10-19(18)25-16-20(23-5-2)24-6-3/h7-12,15,20H,4-6,13-14,16H2,1-3H3
InChIKeyLFVNGVNMKBSPBH-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.08
Rot. Bonds12

About N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine

N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine (PubChem CID 91649944) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine
PubChem CID91649944
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC NameN-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine
SMILESCCOC(COc1ccccc1CN(CC)Cc1ccoc1)OCC
InChIInChI=1S/C20H29NO4/c1-4-21(13-17-11-12-22-15-17)14-18-9-7-8-10-19(18)25-16-20(23-5-2)24-6-3/h7-12,15,20H,4-6,13-14,16H2,1-3H3
InChIKeyLFVNGVNMKBSPBH-UHFFFAOYSA-N
XLogP4.08
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 110922574
2-[2-(2,2-diethoxyethoxy)phenyl]ethanol
CID 58168566
1-(2,2-diethoxyethoxy)-2-iodobenzene
CID 63630107
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 112796331
N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 46998544
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
1-tert-butyl-2-(2,2-diethoxyethoxy)benzene
CID 13416777
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
N-(furan-3-ylmethyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
CID 84593606
1-(2,2-dimethoxyethoxy)-2-ethylbenzene
CID 66223177
1-ethoxy-N-ethyl-3-(furan-3-yl)-1-phenylpropan-2-amine
CID 116773731
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
CID 78918049

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine (CID 91649944) is N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine is CCOC(COc1ccccc1CN(CC)Cc1ccoc1)OCC.
What is the InChIKey of N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is LFVNGVNMKBSPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-4-21(13-17-11-12-22-15-17)14-18-9-7-8-10-19(18)25-16-20(23-5-2)24-6-3/h7-12,15,20H,4-6,13-14,16H2,1-3H3.
What are the key properties of N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine?
N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 347.46 g/mol, XLogP of 4.08, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 91649944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).