N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine

C19H23NO — CID 43490812

IUPACN-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1C)C1Cc2ccccc2O1
InChIInChI=1S/C19H23NO/c1-4-20-19(16-11-13(2)9-10-14(16)3)18-12-15-7-5-6-8-17(15)21-18/h5-11,18-20H,4,12H2,1-3H3
InChIKeyOJSFEIWTWIOQIR-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.96
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine

N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine (PubChem CID 43490812) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine
PubChem CID43490812
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1C)C1Cc2ccccc2O1
InChIInChI=1S/C19H23NO/c1-4-20-19(16-11-13(2)9-10-14(16)3)18-12-15-7-5-6-8-17(15)21-18/h5-11,18-20H,4,12H2,1-3H3
InChIKeyOJSFEIWTWIOQIR-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63434026
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 102764052
N-[2,3-dihydro-1-benzofuran-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 43495091
[2,3-dihydro-1-benzofuran-2-yl-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105262926
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114660019
[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 106602250
N-[2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylphenyl)methyl]ethanamine
CID 65352203
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484908
N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 82932855
[(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262887
2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
CID 43198601

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine (CID 43490812) is N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1C)C1Cc2ccccc2O1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is OJSFEIWTWIOQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-20-19(16-11-13(2)9-10-14(16)3)18-12-15-7-5-6-8-17(15)21-18/h5-11,18-20H,4,12H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43490812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).