1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

C16H20N4O — CID 80684225

IUPAC1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1c(C(C)NCCc2ncn(C)n2)oc2ccccc12
InChIInChI=1S/C16H20N4O/c1-11-13-6-4-5-7-14(13)21-16(11)12(2)17-9-8-15-18-10-20(3)19-15/h4-7,10,12,17H,8-9H2,1-3H3
InChIKeyMSHOYERVVRSESN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.76
Rot. Bonds5

About 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 80684225) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID80684225
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCc1c(C(C)NCCc2ncn(C)n2)oc2ccccc12
InChIInChI=1S/C16H20N4O/c1-11-13-6-4-5-7-14(13)21-16(11)12(2)17-9-8-15-18-10-20(3)19-15/h4-7,10,12,17H,8-9H2,1-3H3
InChIKeyMSHOYERVVRSESN-UHFFFAOYSA-N
XLogP2.76
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine with MolForge

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Related Compounds

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
N-(2-imidazol-1-ylethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 61325314
1-(3-methyl-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004796
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 80681550
N,N,1,3-tetramethyl-4-[[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95152537
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 99834293
1-(3-methyl-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54885120

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 80684225) is 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is Cc1c(C(C)NCCc2ncn(C)n2)oc2ccccc12.
What is the InChIKey of 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is MSHOYERVVRSESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-13-6-4-5-7-14(13)21-16(11)12(2)17-9-8-15-18-10-20(3)19-15/h4-7,10,12,17H,8-9H2,1-3H3.
What are the key properties of 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 284.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 80684225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).