1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

C20H23NO — CID 55387147

IUPAC1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2cc3ccccc3o2)cc1C
InChIInChI=1S/C20H23NO/c1-13-9-15(3)18(10-14(13)2)12-21-16(4)20-11-17-7-5-6-8-19(17)22-20/h5-11,16,21H,12H2,1-4H3
InChIKeyVCMOJVPKGKMHGD-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.21
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 55387147) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID55387147
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2cc3ccccc3o2)cc1C
InChIInChI=1S/C20H23NO/c1-13-9-15(3)18(10-14(13)2)12-21-16(4)20-11-17-7-5-6-8-19(17)22-20/h5-11,16,21H,12H2,1-4H3
InChIKeyVCMOJVPKGKMHGD-UHFFFAOYSA-N
XLogP5.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43224186
1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 115761517
1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine
CID 102833052
1-(1-benzofuran-2-yl)-N-[(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114750476
1-(1-benzofuran-2-yl)-N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 105401275
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514
1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66416307
1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47009083
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
CID 97232707
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (CID 55387147) is 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNC(C)c2cc3ccccc3o2)cc1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is VCMOJVPKGKMHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-13-9-15(3)18(10-14(13)2)12-21-16(4)20-11-17-7-5-6-8-19(17)22-20/h5-11,16,21H,12H2,1-4H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 55387147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).