N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine

C15H18N4O — CID 114730277

IUPACN-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H18N4O/c1-3-7-16-14(12-9-17-19-18-12)13-8-11-6-4-5-10(2)15(11)20-13/h4-6,8-9,14,16H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyQZEVNCATJZTDTN-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.95
Rot. Bonds5

About N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine

N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine (PubChem CID 114730277) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine
PubChem CID114730277
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H18N4O/c1-3-7-16-14(12-9-17-19-18-12)13-8-11-6-4-5-10(2)15(11)20-13/h4-6,8-9,14,16H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyQZEVNCATJZTDTN-UHFFFAOYSA-N
XLogP2.95
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492
N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729058
N-[1-benzofuran-2-yl(2H-triazol-4-yl)methyl]ethanamine
CID 114730268
N-[1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfonylethyl]propan-1-amine
CID 105045409
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 114731309
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898
N-[(7-chloro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186994
N-[(7-fluoro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186506
N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105045567
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 106680815

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine (CID 114730277) is N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine is CCCNC(c1cn[nH]n1)c1cc2cccc(C)c2o1.
What is the InChIKey of N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The InChIKey is QZEVNCATJZTDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-7-16-14(12-9-17-19-18-12)13-8-11-6-4-5-10(2)15(11)20-13/h4-6,8-9,14,16H,3,7H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine?
N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine has a molecular weight of 270.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114730277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).