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

C14H18N4O — CID 105038767

IUPAC1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc2c(c1)COC2
InChIInChI=1S/C14H18N4O/c1-2-5-18-13(7-16-17-18)14(15)10-3-4-11-8-19-9-12(11)6-10/h3-4,6-7,14H,2,5,8-9,15H2,1H3
InChIKeyXIIIWABDCNWBKW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.77
Rot. Bonds4

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

1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038767) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
PubChem CID105038767
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc2c(c1)COC2
InChIInChI=1S/C14H18N4O/c1-2-5-18-13(7-16-17-18)14(15)10-3-4-11-8-19-9-12(11)6-10/h3-4,6-7,14H,2,5,8-9,15H2,1H3
InChIKeyXIIIWABDCNWBKW-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
CID 115857588
2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038683
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114687630
[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
CID 105337137
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213148
(5-bromo-3-methyltriazol-4-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 106464845
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine (CID 105038767) is 1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine?
The InChIKey is XIIIWABDCNWBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-5-18-13(7-16-17-18)14(15)10-3-4-11-8-19-9-12(11)6-10/h3-4,6-7,14H,2,5,8-9,15H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine?
1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).