3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline

C20H23NO4 — CID 19706281

IUPAC3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(C)o2)Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C20H23NO4/c1-14-5-8-17(24-14)12-21(13-18-9-6-15(2)25-18)16-7-10-19(22-3)20(11-16)23-4/h5-11H,12-13H2,1-4H3
InChIKeyZGZZKCFUYWTXAQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.71
Rot. Bonds7

About 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline

3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 19706281) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline
PubChem CID19706281
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(C)o2)Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C20H23NO4/c1-14-5-8-17(24-14)12-21(13-18-9-6-15(2)25-18)16-7-10-19(22-3)20(11-16)23-4/h5-11H,12-13H2,1-4H3
InChIKeyZGZZKCFUYWTXAQ-UHFFFAOYSA-N
XLogP4.71
TPSA47.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 86906483
1-(4-methoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 162459040
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 9322549
5-methoxy-2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyran-4-one
CID 135111048
2-(3,4-dimethoxyphenyl)ethyl-bis[(5-methylfuran-2-yl)methyl]azanium
CID 7323736
N-[4-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 31391604
2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 119124464
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5026489
3-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43380614
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 3430800
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
CID 3416049

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline (CID 19706281) is 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline is COc1ccc(N(Cc2ccc(C)o2)Cc2ccc(C)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is ZGZZKCFUYWTXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-5-8-17(24-14)12-21(13-18-9-6-15(2)25-18)16-7-10-19(22-3)20(11-16)23-4/h5-11H,12-13H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline?
3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 341.41 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N,N-bis[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 19706281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).