1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone

C21H21NO2 — CID 145486746

IUPAC1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2cccc(CCc3ccco3)c2)cc1
InChIInChI=1S/C21H21NO2/c1-16(23)19-8-10-20(11-9-19)22-15-18-5-2-4-17(14-18)7-12-21-6-3-13-24-21/h2-6,8-11,13-14,22H,7,12,15H2,1H3
InChIKeyYSZLZZUMXQWDCL-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.88
Rot. Bonds7

About 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone

1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone (PubChem CID 145486746) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone
PubChem CID145486746
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2cccc(CCc3ccco3)c2)cc1
InChIInChI=1S/C21H21NO2/c1-16(23)19-8-10-20(11-9-19)22-15-18-5-2-4-17(14-18)7-12-21-6-3-13-24-21/h2-6,8-11,13-14,22H,7,12,15H2,1H3
InChIKeyYSZLZZUMXQWDCL-UHFFFAOYSA-N
XLogP4.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide
CID 109018525
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
CID 114468210
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N-(4-acetylphenyl)-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255161
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
3-[[2-(furan-2-yl)ethylamino]methyl]benzoic acid
CID 103242155
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
CID 139706215
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 30039326

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone (CID 145486746) is 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone is CC(=O)c1ccc(NCc2cccc(CCc3ccco3)c2)cc1.
What is the InChIKey of 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone?
The InChIKey is YSZLZZUMXQWDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-16(23)19-8-10-20(11-9-19)22-15-18-5-2-4-17(14-18)7-12-21-6-3-13-24-21/h2-6,8-11,13-14,22H,7,12,15H2,1H3.
What are the key properties of 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone?
1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone has a molecular weight of 319.40 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[2-(furan-2-yl)ethyl]phenyl]methylamino]phenyl]ethanone is sourced from PubChem (CID 145486746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).