2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine

C14H18N4O — CID 105038683

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N4O/c1-2-6-18-12(9-16-17-18)14(15)11-3-4-13-10(8-11)5-7-19-13/h3-4,8-9,14H,2,5-7,15H2,1H3
InChIKeyYGGOVUUZPLXZCK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.67
Rot. Bonds4

About 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine

2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038683) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
PubChem CID105038683
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N4O/c1-2-6-18-12(9-16-17-18)14(15)11-3-4-13-10(8-11)5-7-19-13/h3-4,8-9,14H,2,5-7,15H2,1H3
InChIKeyYGGOVUUZPLXZCK-UHFFFAOYSA-N
XLogP1.67
TPSA65.96 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
CID 82984024
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpentan-1-amine
CID 43210155
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine (CID 105038683) is 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine?
The InChIKey is YGGOVUUZPLXZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-6-18-12(9-16-17-18)14(15)11-3-4-13-10(8-11)5-7-19-13/h3-4,8-9,14H,2,5-7,15H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine?
2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).