1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine

C14H19NO — CID 104843083

IUPAC1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2c(CC)cccc12
InChIInChI=1S/C14H19NO/c1-4-10-7-6-8-12-11(5-2)13(9-15-3)16-14(10)12/h6-8,15H,4-5,9H2,1-3H3
InChIKeyXDECOWJVPQUETE-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.28
Rot. Bonds4

About 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 104843083) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID104843083
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2c(CC)cccc12
InChIInChI=1S/C14H19NO/c1-4-10-7-6-8-12-11(5-2)13(9-15-3)16-14(10)12/h6-8,15H,4-5,9H2,1-3H3
InChIKeyXDECOWJVPQUETE-UHFFFAOYSA-N
XLogP3.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843086
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114376971
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989
N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine
CID 104842836
1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843160
1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843076
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 104843083) is 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine is CCc1c(CNC)oc2c(CC)cccc12.
What is the InChIKey of 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is XDECOWJVPQUETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-10-7-6-8-12-11(5-2)13(9-15-3)16-14(10)12/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 217.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104843083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).