N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine

C21H27NO2 — CID 69331747

IUPACN-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCN(CC)CC1Cc2cc(C)cc(-c3ccc(OC)cc3)c2O1
InChIInChI=1S/C21H27NO2/c1-5-22(6-2)14-19-13-17-11-15(3)12-20(21(17)24-19)16-7-9-18(23-4)10-8-16/h7-12,19H,5-6,13-14H2,1-4H3
InChIKeyALIKOCSGMDVWQW-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.32
Rot. Bonds6

About N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine

N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 69331747) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID69331747
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCN(CC)CC1Cc2cc(C)cc(-c3ccc(OC)cc3)c2O1
InChIInChI=1S/C21H27NO2/c1-5-22(6-2)14-19-13-17-11-15(3)12-20(21(17)24-19)16-7-9-18(23-4)10-8-16/h7-12,19H,5-6,13-14H2,1-4H3
InChIKeyALIKOCSGMDVWQW-UHFFFAOYSA-N
XLogP4.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine with MolForge

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Related Compounds

7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141158954
N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
CID 69262092
2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 69108447
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
[7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 86599322
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404
N,N'-diethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66360803
[7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]-diethyl-methylazanium
CID 69204924
methyl 4-[[(2R)-7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-4-oxobutanoate
CID 42501902
[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11323664
[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11403470
[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 15941645

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine (CID 69331747) is N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine is CCN(CC)CC1Cc2cc(C)cc(-c3ccc(OC)cc3)c2O1.
What is the InChIKey of N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is ALIKOCSGMDVWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-22(6-2)14-19-13-17-11-15(3)12-20(21(17)24-19)16-7-9-18(23-4)10-8-16/h7-12,19H,5-6,13-14H2,1-4H3.
What are the key properties of N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 325.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[7-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 69331747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).