2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine

C21H22FNO3 — CID 4723460

IUPAC2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
SMILESCOc1ccc(CCNCc2ccc(-c3ccccc3F)o2)cc1OC
InChIInChI=1S/C21H22FNO3/c1-24-20-9-7-15(13-21(20)25-2)11-12-23-14-16-8-10-19(26-16)17-5-3-4-6-18(17)22/h3-10,13,23H,11-12,14H2,1-2H3
InChIKeyXLNNPTWLDVJEJG-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.44
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine (PubChem CID 4723460) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
PubChem CID4723460
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
SMILESCOc1ccc(CCNCc2ccc(-c3ccccc3F)o2)cc1OC
InChIInChI=1S/C21H22FNO3/c1-24-20-9-7-15(13-21(20)25-2)11-12-23-14-16-8-10-19(26-16)17-5-3-4-6-18(17)22/h3-10,13,23H,11-12,14H2,1-2H3
InChIKeyXLNNPTWLDVJEJG-UHFFFAOYSA-N
XLogP4.44
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9404529
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724191
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
CID 17206989
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 119108718
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
2-(3,4-dimethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine;oxalic acid
CID 17053061
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17331952
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214280
N',N'-dibutyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214750

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine (CID 4723460) is 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine is COc1ccc(CCNCc2ccc(-c3ccccc3F)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is XLNNPTWLDVJEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-24-20-9-7-15(13-21(20)25-2)11-12-23-14-16-8-10-19(26-16)17-5-3-4-6-18(17)22/h3-10,13,23H,11-12,14H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 355.41 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 4723460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).