N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine

C19H23NO — CID 105409478

IUPACN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C19H23NO/c1-13(2)20-12-15-5-4-14(3)18(10-15)16-6-7-19-17(11-16)8-9-21-19/h4-7,10-11,13,20H,8-9,12H2,1-3H3
InChIKeyUBOOOWUKNBERNI-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.09
Rot. Bonds4

About N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine

N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 105409478) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
PubChem CID105409478
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(CNC(C)C)cc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C19H23NO/c1-13(2)20-12-15-5-4-14(3)18(10-15)16-6-7-19-17(11-16)8-9-21-19/h4-7,10-11,13,20H,8-9,12H2,1-3H3
InChIKeyUBOOOWUKNBERNI-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine
CID 105409957
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]propan-2-amine
CID 61034297
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
CID 22391534
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-4-fluorophenyl]-N-methylmethanamine
CID 54910696
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281176
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine (CID 105409478) is N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine is Cc1ccc(CNC(C)C)cc1-c1ccc2c(c1)CCO2.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is UBOOOWUKNBERNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13(2)20-12-15-5-4-14(3)18(10-15)16-6-7-19-17(11-16)8-9-21-19/h4-7,10-11,13,20H,8-9,12H2,1-3H3.
What are the key properties of N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105409478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).