N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine

C18H21NO — CID 61034297

IUPACN-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-13(2)19-12-16-5-3-4-6-17(16)14-7-8-18-15(11-14)9-10-20-18/h3-8,11,13,19H,9-10,12H2,1-2H3
InChIKeyGGEYMZAQVHMEJC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.79
Rot. Bonds4

About N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine

N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine (PubChem CID 61034297) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine
PubChem CID61034297
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c1-13(2)19-12-16-5-3-4-6-17(16)14-7-8-18-15(11-14)9-10-20-18/h3-8,11,13,19H,9-10,12H2,1-2H3
InChIKeyGGEYMZAQVHMEJC-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
CID 61032565
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409478
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281176
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
CID 22391534
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine
CID 54910696
1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597
ethyl 2-amino-6-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 83142809
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine (CID 61034297) is N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1-c1ccc2c(c1)CCO2.
What is the InChIKey of N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine?
The InChIKey is GGEYMZAQVHMEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)19-12-16-5-3-4-6-17(16)14-7-8-18-15(11-14)9-10-20-18/h3-8,11,13,19H,9-10,12H2,1-2H3.
What are the key properties of N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine?
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 61034297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).