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

C14H18N4O — CID 66362697

IUPAC1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1ccc2c(c1)CC(CNCc1nncn1C)O2
InChIInChI=1S/C14H18N4O/c1-10-3-4-13-11(5-10)6-12(19-13)7-15-8-14-17-16-9-18(14)2/h3-5,9,12,15H,6-8H2,1-2H3
InChIKeyPSNWLIAOCDSPDU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.22
Rot. Bonds4

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

1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 66362697) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID66362697
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1ccc2c(c1)CC(CNCc1nncn1C)O2
InChIInChI=1S/C14H18N4O/c1-10-3-4-13-11(5-10)6-12(19-13)7-15-8-14-17-16-9-18(14)2/h3-5,9,12,15H,6-8H2,1-2H3
InChIKeyPSNWLIAOCDSPDU-UHFFFAOYSA-N
XLogP1.22
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 115989785
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 66361354
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 106372983
N-[(2-ethylphenyl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66360586
N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66362511
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]propanamide
CID 66361152
4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 106841886
1-(2-chlorocyclohexyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66362796
3,4-dichloro-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66362870

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 66362697) is 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1ccc2c(c1)CC(CNCc1nncn1C)O2.
What is the InChIKey of 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is PSNWLIAOCDSPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-3-4-13-11(5-10)6-12(19-13)7-15-8-14-17-16-9-18(14)2/h3-5,9,12,15H,6-8H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 66362697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).