1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine

C19H21NO — CID 61064901

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H21NO/c1-3-20-17(12-15-10-8-14(2)9-11-15)19-13-16-6-4-5-7-18(16)21-19/h4-11,13,17,20H,3,12H2,1-2H3
InChIKeyLQZJWCNDSPZLEZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.63
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine

1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine (PubChem CID 61064901) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
PubChem CID61064901
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H21NO/c1-3-20-17(12-15-10-8-14(2)9-11-15)19-13-16-6-4-5-7-18(16)21-19/h4-11,13,17,20H,3,12H2,1-2H3
InChIKeyLQZJWCNDSPZLEZ-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine (CID 61064901) is 1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(C)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The InChIKey is LQZJWCNDSPZLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-20-17(12-15-10-8-14(2)9-11-15)19-13-16-6-4-5-7-18(16)21-19/h4-11,13,17,20H,3,12H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine?
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 4.63, 5 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-ethyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 61064901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).