N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine

C13H19NO — CID 114746763

IUPACN-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cccc2c1OCC2
InChIInChI=1S/C13H19NO/c1-10(2)14-8-6-11-4-3-5-12-7-9-15-13(11)12/h3-5,10,14H,6-9H2,1-2H3
InChIKeyVVANSBRFFPYJKB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.16
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine

N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine (PubChem CID 114746763) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
PubChem CID114746763
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cccc2c1OCC2
InChIInChI=1S/C13H19NO/c1-10(2)14-8-6-11-4-3-5-12-7-9-15-13(11)12/h3-5,10,14H,6-9H2,1-2H3
InChIKeyVVANSBRFFPYJKB-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
3-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpropan-1-amine
CID 114746889
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine
CID 106888217
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170866001
7-(3-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114747050
7-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481550
3-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpropanal
CID 114746856
7-[(2-propan-2-ylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran
CID 177208791
1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine (CID 114746763) is N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine is CC(C)NCCc1cccc2c1OCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine?
The InChIKey is VVANSBRFFPYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)14-8-6-11-4-3-5-12-7-9-15-13(11)12/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine?
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine is sourced from PubChem (CID 114746763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).