1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine

C16H18N2O — CID 114954973

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccncc1CNCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O/c1-12-4-6-17-10-15(12)11-18-9-13-2-3-16-14(8-13)5-7-19-16/h2-4,6,8,10,18H,5,7,9,11H2,1H3
InChIKeyJTWKXLBWYQGBGL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.61
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 114954973) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
PubChem CID114954973
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccncc1CNCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O/c1-12-4-6-17-10-15(12)11-18-9-13-2-3-16-14(8-13)5-7-19-16/h2-4,6,8,10,18H,5,7,9,11H2,1H3
InChIKeyJTWKXLBWYQGBGL-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114955137
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700600
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 55037976
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine
CID 65447083
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 113245808
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351788
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine (CID 114954973) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine is Cc1ccncc1CNCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
The InChIKey is JTWKXLBWYQGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-4-6-17-10-15(12)11-18-9-13-2-3-16-14(8-13)5-7-19-16/h2-4,6,8,10,18H,5,7,9,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 114954973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).