[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine

C17H20N2O2 — CID 62411658

IUPAC[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine
SMILESCc1occc1CN(C)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-12-13(7-8-20-12)10-19(2)11-15-14-5-3-4-6-16(14)21-17(15)9-18/h3-8H,9-11,18H2,1-2H3
InChIKeyRETNXDRRDDPRQQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.42
Rot. Bonds5

About [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine

[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine (PubChem CID 62411658) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine
PubChem CID62411658
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine
SMILESCc1occc1CN(C)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-12-13(7-8-20-12)10-19(2)11-15-14-5-3-4-6-16(14)21-17(15)9-18/h3-8H,9-11,18H2,1-2H3
InChIKeyRETNXDRRDDPRQQ-UHFFFAOYSA-N
XLogP3.42
TPSA55.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865447
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
CID 62417780
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420512
[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62418572
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62260747
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665490
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine (CID 62411658) is [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine is Cc1occc1CN(C)Cc1c(CN)oc2ccccc12.
What is the InChIKey of [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is RETNXDRRDDPRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-13(7-8-20-12)10-19(2)11-15-14-5-3-4-6-16(14)21-17(15)9-18/h3-8H,9-11,18H2,1-2H3.
What are the key properties of [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine?
[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 284.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62411658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).