2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde

C21H21NO4 — CID 86668853

IUPAC2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde
SMILESCOc1ccc(C(NC(C=O)c2ccco2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-24-17-9-5-15(6-10-17)21(16-7-11-18(25-2)12-8-16)22-19(14-23)20-4-3-13-26-20/h3-14,19,21-22H,1-2H3
InChIKeySJFMAMYYRRGXLR-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.92
Rot. Bonds8

About 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde

2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde (PubChem CID 86668853) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde
PubChem CID86668853
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde
SMILESCOc1ccc(C(NC(C=O)c2ccco2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-24-17-9-5-15(6-10-17)21(16-7-11-18(25-2)12-8-16)22-19(14-23)20-4-3-13-26-20/h3-14,19,21-22H,1-2H3
InChIKeySJFMAMYYRRGXLR-UHFFFAOYSA-N
XLogP3.92
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde
CID 135349106
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8921188
(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403675
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8755264
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-methoxyphenyl)propanamide
CID 111108626
1-(furan-2-yl)-N'-[1-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202375
N-[(S)-diphenylphosphoryl(furan-2-yl)methyl]-4-methoxyaniline
CID 98528394
1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
(1S,2R,3S)-3-amino-3-(furan-2-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 15246889

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde?
The IUPAC name of 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde (CID 86668853) is 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde?
The canonical SMILES for 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde is COc1ccc(C(NC(C=O)c2ccco2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde?
The InChIKey is SJFMAMYYRRGXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-24-17-9-5-15(6-10-17)21(16-7-11-18(25-2)12-8-16)22-19(14-23)20-4-3-13-26-20/h3-14,19,21-22H,1-2H3.
What are the key properties of 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde?
2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde has a molecular weight of 351.40 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)methylamino]-2-(furan-2-yl)acetaldehyde is sourced from PubChem (CID 86668853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).