N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine

C16H20N4O — CID 107050731

IUPACN-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)c1coc2ccccc12
InChIInChI=1S/C16H20N4O/c1-3-8-17-15(9-12-10-20(2)19-18-12)14-11-21-16-7-5-4-6-13(14)16/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyPZRCAYJDAHMHOU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds6

About N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine

N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 107050731) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID107050731
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)c1coc2ccccc12
InChIInChI=1S/C16H20N4O/c1-3-8-17-15(9-12-10-20(2)19-18-12)14-11-21-16-7-5-4-6-13(14)16/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyPZRCAYJDAHMHOU-UHFFFAOYSA-N
XLogP2.84
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-chlorofuran-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064238
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064044
N-[1-(3-methyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107048847
N-[1-(1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064472
N-[1-(3-ethyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050759
N-[1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049296
N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 107049488
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050660
N-[1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064185
N-ethyl-2-(1-methyltriazol-4-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 107064291
2-(2-bromophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053492
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063898

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (CID 107050731) is N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cn(C)nn1)c1coc2ccccc12.
What is the InChIKey of N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is PZRCAYJDAHMHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-8-17-15(9-12-10-20(2)19-18-12)14-11-21-16-7-5-4-6-13(14)16/h4-7,10-11,15,17H,3,8-9H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine has a molecular weight of 284.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107050731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).