2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine

C12H17NO2 — CID 54095924

IUPAC2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1coc2c1=CCCC=2
InChIInChI=1S/C12H17NO2/c1-13(2)7-8-14-12-9-15-11-6-4-3-5-10(11)12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMXBRDZVRSFRFFG-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.57
Rot. Bonds4

About 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine

2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine (PubChem CID 54095924) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine
PubChem CID54095924
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1coc2c1=CCCC=2
InChIInChI=1S/C12H17NO2/c1-13(2)7-8-14-12-9-15-11-6-4-3-5-10(11)12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyMXBRDZVRSFRFFG-UHFFFAOYSA-N
XLogP0.57
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-5-[2-(dimethylamino)ethoxy]pyran-4-one
CID 82064006
2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine
CID 23238003
N,N-dimethyl-2-[2-(oxiran-2-yl)phenoxy]ethanamine
CID 142440877
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
CID 18709
5-[2-(dimethylamino)ethoxy]benzene-1,3-diamine
CID 68840526
2-[4-(3,5-dimethylphenyl)-2-(6-methoxycyclohexa-1,5-dien-1-yl)phenoxy]-N,N-dimethylethanamine
CID 173200671
1-[6-[2-(dimethylamino)ethoxy]-1,3-benzodioxol-5-yl]propan-2-amine
CID 55012869
2-(3-chloro-2,5-dimethylphenoxy)-N,N-dimethylethanamine
CID 164836094
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
2-[2-(dimethylamino)ethoxy]-5-iodoaniline
CID 66081959
2-[2-(aminomethyl)thiophen-3-yl]oxy-N,N-dimethylethanamine
CID 39202898

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine (CID 54095924) is 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine is CN(C)CCOc1coc2c1=CCCC=2.
What is the InChIKey of 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine?
The InChIKey is MXBRDZVRSFRFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13(2)7-8-14-12-9-15-11-6-4-3-5-10(11)12/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine?
2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine has a molecular weight of 207.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-1-benzofuran-3-yloxy)-N,N-dimethylethanamine is sourced from PubChem (CID 54095924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).