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

C14H21N3O — CID 66364753

IUPAC3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1Cc2ccccc2O1
InChIInChI=1S/C14H21N3O/c1-10(14(15)16)8-17(2)9-12-7-11-5-3-4-6-13(11)18-12/h3-6,10,12H,7-9H2,1-2H3,(H3,15,16)
InChIKeyQJZZHDXKUXJLOM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.49
Rot. Bonds5

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

3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide (PubChem CID 66364753) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide
PubChem CID66364753
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1Cc2ccccc2O1
InChIInChI=1S/C14H21N3O/c1-10(14(15)16)8-17(2)9-12-7-11-5-3-4-6-13(11)18-12/h3-6,10,12H,7-9H2,1-2H3,(H3,15,16)
InChIKeyQJZZHDXKUXJLOM-UHFFFAOYSA-N
XLogP1.49
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]propanenitrile
CID 7335000
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 3112650
methyl 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanoate
CID 66364601
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methoxy-N-methylpropan-1-amine
CID 66364230
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(2-methylpropyl)amino]propanethioamide
CID 66365908
2-methyl-3-(N-methylanilino)propanimidamide
CID 43175003
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide
CID 63176117
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 66363965

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide (CID 66364753) is 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CC1Cc2ccccc2O1.
What is the InChIKey of 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide?
The InChIKey is QJZZHDXKUXJLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(14(15)16)8-17(2)9-12-7-11-5-3-4-6-13(11)18-12/h3-6,10,12H,7-9H2,1-2H3,(H3,15,16).
What are the key properties of 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide?
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide has a molecular weight of 247.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 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]-2-methylpropanimidamide is sourced from PubChem (CID 66364753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).