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

C19H21NO — CID 63091494

IUPACN-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1ccc(C)cc1C
InChIInChI=1S/C19H21NO/c1-4-20-19(16-10-9-13(2)11-14(16)3)18-12-15-7-5-6-8-17(15)21-18/h5-12,19-20H,4H2,1-3H3
InChIKeyNQBYIXZLIIJRTE-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.75
Rot. Bonds4

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

N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine (PubChem CID 63091494) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
PubChem CID63091494
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc2ccccc2o1)c1ccc(C)cc1C
InChIInChI=1S/C19H21NO/c1-4-20-19(16-10-9-13(2)11-14(16)3)18-12-15-7-5-6-8-17(15)21-18/h5-12,19-20H,4H2,1-3H3
InChIKeyNQBYIXZLIIJRTE-UHFFFAOYSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 63091851
N-[1-benzofuran-2-yl-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106858678
N-[(2-iodophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045279
N-[1-benzofuran-2-yl-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 114906570
N-[1-benzofuran-2-yl-(4-bromo-2-chlorophenyl)methyl]ethanamine
CID 105043926
N-[1-benzofuran-2-yl-(2,5-dichlorophenyl)methyl]ethanamine
CID 63418365
N-[1-benzofuran-2-yl-(2,5-dibromophenyl)methyl]ethanamine
CID 105044103
N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489925
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202
N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103407408
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
N-[(5-methyl-1-benzofuran-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841419

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine (CID 63091494) is N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine is CCNC(c1cc2ccccc2o1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is NQBYIXZLIIJRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-20-19(16-10-9-13(2)11-14(16)3)18-12-15-7-5-6-8-17(15)21-18/h5-12,19-20H,4H2,1-3H3.
What are the key properties of N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine?
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 63091494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).