N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine

C17H19NO2 — CID 105045567

IUPACN-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)o1)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H19NO2/c1-4-18-16(14-9-8-12(3)19-14)15-10-13-7-5-6-11(2)17(13)20-15/h5-10,16,18H,4H2,1-3H3
InChIKeyCCVSHNGPLRKQAI-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.34
Rot. Bonds4

About N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine

N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 105045567) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID105045567
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)o1)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H19NO2/c1-4-18-16(14-9-8-12(3)19-14)15-10-13-7-5-6-11(2)17(13)20-15/h5-10,16,18H,4H2,1-3H3
InChIKeyCCVSHNGPLRKQAI-UHFFFAOYSA-N
XLogP4.34
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105185529
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-[(3-bromo-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114730903
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine
CID 114733597
N-[(7-chloro-1-benzofuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105048573
N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492
1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045456

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine (CID 105045567) is N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(C)o1)c1cc2cccc(C)c2o1.
What is the InChIKey of N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is CCVSHNGPLRKQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-18-16(14-9-8-12(3)19-14)15-10-13-7-5-6-11(2)17(13)20-15/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine?
N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 269.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 105045567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).