3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline

C17H20N2O — CID 66365541

IUPAC3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)CC1Cc2ccccc2O1
InChIInChI=1S/C17H20N2O/c1-19(11-13-5-4-7-15(18)9-13)12-16-10-14-6-2-3-8-17(14)20-16/h2-9,16H,10-12,18H2,1H3
InChIKeyQIAPHDYDCIPQOW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.70
Rot. Bonds4

About 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline

3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline (PubChem CID 66365541) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline
PubChem CID66365541
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1cccc(N)c1)CC1Cc2ccccc2O1
InChIInChI=1S/C17H20N2O/c1-19(11-13-5-4-7-15(18)9-13)12-16-10-14-6-2-3-8-17(14)20-16/h2-9,16H,10-12,18H2,1H3
InChIKeyQIAPHDYDCIPQOW-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-N-ethylbenzene-1,3-diamine
CID 66363208
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636
3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfinyl)aniline
CID 81180890
3-[[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-(1-methyltriazol-4-yl)benzamide
CID 95226303
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 125176993
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]propanenitrile
CID 7335000
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 3112650
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 29023368
methyl 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanoate
CID 66364601
[4-[2-(3-aminophenyl)-6-[[benzyl(methyl)amino]methyl]-1,3-dioxan-4-yl]phenyl]methanol
CID 3571746

Frequently Asked Questions

What is the IUPAC name of 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline (CID 66365541) is 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline is CN(Cc1cccc(N)c1)CC1Cc2ccccc2O1.
What is the InChIKey of 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline?
The InChIKey is QIAPHDYDCIPQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(11-13-5-4-7-15(18)9-13)12-16-10-14-6-2-3-8-17(14)20-16/h2-9,16H,10-12,18H2,1H3.
What are the key properties of 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline?
3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline has a molecular weight of 268.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 66365541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).