3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine

C13H19NO — CID 170866001

IUPAC3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cccc2c1OCC2
InChIInChI=1S/C13H19NO/c1-14(2)9-4-7-11-5-3-6-12-8-10-15-13(11)12/h3,5-6H,4,7-10H2,1-2H3
InChIKeyCDQUSWWYZPYEPY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.12
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170866001) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
PubChem CID170866001
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cccc2c1OCC2
InChIInChI=1S/C13H19NO/c1-14(2)9-4-7-11-5-3-6-12-8-10-15-13(11)12/h3,5-6H,4,7-10H2,1-2H3
InChIKeyCDQUSWWYZPYEPY-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170865623
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
7-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481550
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
3-[5-[3-(dimethylamino)propyl]-9,9-dimethylxanthen-4-yl]-N,N-dimethylpropan-1-amine
CID 101055302
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
7-(3-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114747050
2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
CID 83878008
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
CID 114746856
2-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanamine
CID 83829835

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine (CID 170866001) is 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1cccc2c1OCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is CDQUSWWYZPYEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14(2)9-4-7-11-5-3-6-12-8-10-15-13(11)12/h3,5-6H,4,7-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).