N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine

C13H16N2O — CID 79504361

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESc1ccc2c(c1)OCC2NC1=NCCCC1
InChIInChI=1S/C13H16N2O/c1-2-6-12-10(5-1)11(9-16-12)15-13-7-3-4-8-14-13/h1-2,5-6,11H,3-4,7-9H2,(H,14,15)
InChIKeyNJVDFDSWDOULPG-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.29
Rot. Bonds1

About N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine

N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79504361) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79504361
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESc1ccc2c(c1)OCC2NC1=NCCCC1
InChIInChI=1S/C13H16N2O/c1-2-6-12-10(5-1)11(9-16-12)15-13-7-3-4-8-14-13/h1-2,5-6,11H,3-4,7-9H2,(H,14,15)
InChIKeyNJVDFDSWDOULPG-UHFFFAOYSA-N
XLogP2.29
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123116
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
CID 79857768
5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66279227
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568532
N-(2,3-dihydro-1-benzofuran-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475837
4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80835656
N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
CID 106574438
5-tert-butyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1,3,4-oxadiazol-2-amine
CID 97204483
5-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-yl)-1,3,4-oxadiazol-2-amine
CID 72913825
3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
CID 104834591
methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
CID 62064686

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79504361) is N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine is c1ccc2c(c1)OCC2NC1=NCCCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is NJVDFDSWDOULPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-6-12-10(5-1)11(9-16-12)15-13-7-3-4-8-14-13/h1-2,5-6,11H,3-4,7-9H2,(H,14,15).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 216.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79504361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).