N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine

C14H14N2O — CID 43732659

IUPACN-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C14H14N2O/c1-2-14-12(5-8-17-14)9-13(1)16-10-11-3-6-15-7-4-11/h1-4,6-7,9,16H,5,8,10H2
InChIKeyYBJYUSXSKWBKHV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.63
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine

N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43732659) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43732659
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C14H14N2O/c1-2-14-12(5-8-17-14)9-13(1)16-10-11-3-6-15-7-4-11/h1-4,6-7,9,16H,5,8,10H2
InChIKeyYBJYUSXSKWBKHV-UHFFFAOYSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 66408734
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 63654803
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732620
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732713
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine (CID 43732659) is N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine is c1cc(CNc2ccc3c(c2)CCO3)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is YBJYUSXSKWBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-14-12(5-8-17-14)9-13(1)16-10-11-3-6-15-7-4-11/h1-4,6-7,9,16H,5,8,10H2.
What are the key properties of N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 226.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43732659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).