2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine

C18H30N2O — CID 64508400

IUPAC2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H30N2O/c1-6-20(7-2)13-14(3)19-12-16-10-8-9-15-11-18(4,5)21-17(15)16/h8-10,14,19H,6-7,11-13H2,1-5H3
InChIKeyZHLKLBIGNSJFOW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.22
Rot. Bonds7

About 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine

2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 64508400) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID64508400
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H30N2O/c1-6-20(7-2)13-14(3)19-12-16-10-8-9-15-11-18(4,5)21-17(15)16/h8-10,14,19H,6-7,11-13H2,1-5H3
InChIKeyZHLKLBIGNSJFOW-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine with MolForge

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]hexan-2-amine
CID 64508402
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 64507036
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64508824
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-thiophen-3-ylethanamine
CID 64508623
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64509268
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
CID 64509256
4-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylaniline
CID 64509027
N-[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]propan-1-amine
CID 64865774
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine (CID 64508400) is 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NCc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is ZHLKLBIGNSJFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-20(7-2)13-14(3)19-12-16-10-8-9-15-11-18(4,5)21-17(15)16/h8-10,14,19H,6-7,11-13H2,1-5H3.
What are the key properties of 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 64508400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).