N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine

C16H23N3O — CID 62437372

IUPACN-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1CN1CCN(C)CC1
InChIInChI=1S/C16H23N3O/c1-17-11-16-14(12-19-9-7-18(2)8-10-19)13-5-3-4-6-15(13)20-16/h3-6,17H,7-12H2,1-2H3
InChIKeyZQNLFONVDXKLKW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine

N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine (PubChem CID 62437372) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
PubChem CID62437372
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1CN1CCN(C)CC1
InChIInChI=1S/C16H23N3O/c1-17-11-16-14(12-19-9-7-18(2)8-10-19)13-5-3-4-6-15(13)20-16/h3-6,17H,7-12H2,1-2H3
InChIKeyZQNLFONVDXKLKW-UHFFFAOYSA-N
XLogP1.90
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62459476
[2-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62417858
1-[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 62446991
1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62442757
[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62418572
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine
CID 112804969
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82764642
N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62974116
N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 106316740

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine (CID 62437372) is N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine is CNCc1oc2ccccc2c1CN1CCN(C)CC1.
What is the InChIKey of N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is ZQNLFONVDXKLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-11-16-14(12-19-9-7-18(2)8-10-19)13-5-3-4-6-15(13)20-16/h3-6,17H,7-12H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine?
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62437372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).