N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine

C18H28N2O — CID 43108977

IUPACN',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
SMILESCCc1c(C(C)NCCN(CC)CC)oc2ccccc12
InChIInChI=1S/C18H28N2O/c1-5-15-16-10-8-9-11-17(16)21-18(15)14(4)19-12-13-20(6-2)7-3/h8-11,14,19H,5-7,12-13H2,1-4H3
InChIKeyVTXIUWKCEOAFBK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.99
Rot. Bonds8

About N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 43108977) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
PubChem CID43108977
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
SMILESCCc1c(C(C)NCCN(CC)CC)oc2ccccc12
InChIInChI=1S/C18H28N2O/c1-5-15-16-10-8-9-11-17(16)21-18(15)14(4)19-12-13-20(6-2)7-3/h8-11,14,19H,5-7,12-13H2,1-4H3
InChIKeyVTXIUWKCEOAFBK-UHFFFAOYSA-N
XLogP3.99
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104578869
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001771
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61043837
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281276
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine (CID 43108977) is N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine is CCc1c(C(C)NCCN(CC)CC)oc2ccccc12.
What is the InChIKey of N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is VTXIUWKCEOAFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-15-16-10-8-9-11-17(16)21-18(15)14(4)19-12-13-20(6-2)7-3/h8-11,14,19H,5-7,12-13H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 43108977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).