2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine

C17H26N2O — CID 114729527

IUPAC2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H26N2O/c1-6-19(7-2)17(4,5)16(18)14-11-13-10-8-9-12(3)15(13)20-14/h8-11,16H,6-7,18H2,1-5H3
InChIKeyDVYVVZFVRNATSZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.86
Rot. Bonds5

About 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine

2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine (PubChem CID 114729527) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
PubChem CID114729527
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H26N2O/c1-6-19(7-2)17(4,5)16(18)14-11-13-10-8-9-12(3)15(13)20-14/h8-11,16H,6-7,18H2,1-5H3
InChIKeyDVYVVZFVRNATSZ-UHFFFAOYSA-N
XLogP3.86
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 114729528
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 114729557
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114727377
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 114729408
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
CID 114222058
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine (CID 114729527) is 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine is CCN(CC)C(C)(C)C(N)c1cc2cccc(C)c2o1.
What is the InChIKey of 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine?
The InChIKey is DVYVVZFVRNATSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-6-19(7-2)17(4,5)16(18)14-11-13-10-8-9-12(3)15(13)20-14/h8-11,16H,6-7,18H2,1-5H3.
What are the key properties of 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine?
2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine is sourced from PubChem (CID 114729527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).