N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine

C19H21NO — CID 114732235

IUPACN-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cc2cc(C)ccc2o1
InChIInChI=1S/C19H21NO/c1-4-20-14(3)16-7-5-6-8-17(16)19-12-15-11-13(2)9-10-18(15)21-19/h5-12,14,20H,4H2,1-3H3
InChIKeyNFFQTLPQECNIGM-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.08
Rot. Bonds4

About N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine

N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine (PubChem CID 114732235) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
PubChem CID114732235
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cc2cc(C)ccc2o1
InChIInChI=1S/C19H21NO/c1-4-20-14(3)16-7-5-6-8-17(16)19-12-15-11-13(2)9-10-18(15)21-19/h5-12,14,20H,4H2,1-3H3
InChIKeyNFFQTLPQECNIGM-UHFFFAOYSA-N
XLogP5.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dimethylphenyl)phenyl]-N-ethylethanamine
CID 55110501
N-ethyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181548
N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732474
N-[(2-iodophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045279
N-[1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163596
1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
CID 114732213
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
2,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 105045138
N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63423907
N-[(5-methyl-1-benzofuran-2-yl)-phenylmethyl]propan-1-amine
CID 114727860
N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
CID 115503189
N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911658

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine (CID 114732235) is N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine is CCNC(C)c1ccccc1-c1cc2cc(C)ccc2o1.
What is the InChIKey of N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
The InChIKey is NFFQTLPQECNIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-20-14(3)16-7-5-6-8-17(16)19-12-15-11-13(2)9-10-18(15)21-19/h5-12,14,20H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine?
N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine is sourced from PubChem (CID 114732235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).