1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine

C16H26N2O — CID 103109579

IUPAC1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C16H26N2O/c1-5-18(4)11-12(2)17-10-14-6-7-16-15(9-14)8-13(3)19-16/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3
InChIKeyZVGCNLBLTGOBRD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

About 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine (PubChem CID 103109579) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
PubChem CID103109579
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C16H26N2O/c1-5-18(4)11-12(2)17-10-14-6-7-16-15(9-14)8-13(3)19-16/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3
InChIKeyZVGCNLBLTGOBRD-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine with MolForge

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Related Compounds

(2R)-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 104868177
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
(3R)-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylamino]pentanoic acid
CID 166264602
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117203213
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 103109827
N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 65303126
1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 103109740
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine
CID 166375722
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-2-amine
CID 78910436

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine (CID 103109579) is 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine is CCN(C)CC(C)NCc1ccc2c(c1)CC(C)O2.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine?
The InChIKey is ZVGCNLBLTGOBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-18(4)11-12(2)17-10-14-6-7-16-15(9-14)8-13(3)19-16/h6-7,9,12-13,17H,5,8,10-11H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 103109579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).