N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine

C19H21NO — CID 176731852

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine
SMILESCN(CC=Cc1ccccc1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C19H21NO/c1-20(12-5-8-16-6-3-2-4-7-16)15-17-9-10-19-18(14-17)11-13-21-19/h2-10,14H,11-13,15H2,1H3
InChIKeyCHBFBFGGSXUHKD-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.77
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine (PubChem CID 176731852) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine
PubChem CID176731852
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine
SMILESCN(CC=Cc1ccccc1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C19H21NO/c1-20(12-5-8-16-6-3-2-4-7-16)15-17-9-10-19-18(14-17)11-13-21-19/h2-10,14H,11-13,15H2,1H3
InChIKeyCHBFBFGGSXUHKD-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
CID 176731854
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine
CID 176731867
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 176731872
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 176731839
N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731750
3-(4-fluorophenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731749
N-methyl-3-(3-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731743
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
2-[[methyl-[(E)-3-phenylprop-2-enyl]amino]methyl]xanthen-9-one
CID 10760673

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine (CID 176731852) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine is CN(CC=Cc1ccccc1)Cc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is CHBFBFGGSXUHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-20(12-5-8-16-6-3-2-4-7-16)15-17-9-10-19-18(14-17)11-13-21-19/h2-10,14H,11-13,15H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 176731852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).