1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C16H24N2O — CID 43203173

IUPAC1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCC(NCC(C)(C)N(C)C)c1cc2ccccc2o1
InChIInChI=1S/C16H24N2O/c1-12(17-11-16(2,3)18(4)5)15-10-13-8-6-7-9-14(13)19-15/h6-10,12,17H,11H2,1-5H3
InChIKeyJTHMUFJXFUFOJC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.42
Rot. Bonds5

About 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 43203173) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID43203173
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCC(NCC(C)(C)N(C)C)c1cc2ccccc2o1
InChIInChI=1S/C16H24N2O/c1-12(17-11-16(2,3)18(4)5)15-10-13-8-6-7-9-14(13)19-15/h6-10,12,17H,11H2,1-5H3
InChIKeyJTHMUFJXFUFOJC-UHFFFAOYSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
1-N-[1-(5-bromofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104652133
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783098

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 43203173) is 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CC(NCC(C)(C)N(C)C)c1cc2ccccc2o1.
What is the InChIKey of 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is JTHMUFJXFUFOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(17-11-16(2,3)18(4)5)15-10-13-8-6-7-9-14(13)19-15/h6-10,12,17H,11H2,1-5H3.
What are the key properties of 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 43203173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).