N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine

C16H17NO2 — CID 114730952

IUPACN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)c1ccoc1C
InChIInChI=1S/C16H17NO2/c1-10-4-5-14-12(8-10)9-15(19-14)16(17-3)13-6-7-18-11(13)2/h4-9,16-17H,1-3H3
InChIKeyIZRUGMWFXMKOEJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.95
Rot. Bonds3

About N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine

N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine (PubChem CID 114730952) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
PubChem CID114730952
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)c1ccoc1C
InChIInChI=1S/C16H17NO2/c1-10-4-5-14-12(8-10)9-15(19-14)16(17-3)13-6-7-18-11(13)2/h4-9,16-17H,1-3H3
InChIKeyIZRUGMWFXMKOEJ-UHFFFAOYSA-N
XLogP3.95
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045172
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045109
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methylfuran-3-yl)methanamine
CID 105045142
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(6-methyl-2-pyridinyl)methanamine
CID 114728572
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114730954
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-propylpentan-1-amine
CID 105045144
1-(5-ethylfuran-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045342

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine (CID 114730952) is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine is CNC(c1cc2cc(C)ccc2o1)c1ccoc1C.
What is the InChIKey of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is IZRUGMWFXMKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-4-5-14-12(8-10)9-15(19-14)16(17-3)13-6-7-18-11(13)2/h4-9,16-17H,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine?
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 255.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 114730952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).