N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine

C13H14N2O — CID 66408734

IUPACN-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)CCO3)c[nH]1
InChIInChI=1S/C13H14N2O/c1-2-13-11(4-6-16-13)7-12(1)15-9-10-3-5-14-8-10/h1-3,5,7-8,14-15H,4,6,9H2
InChIKeyUTYDWDOVHGIRHJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.56
Rot. Bonds3

About N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine

N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 66408734) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID66408734
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc(CNc2ccc3c(c2)CCO3)c[nH]1
InChIInChI=1S/C13H14N2O/c1-2-13-11(4-6-16-13)7-12(1)15-9-10-3-5-14-8-10/h1-3,5,7-8,14-15H,4,6,9H2
InChIKeyUTYDWDOVHGIRHJ-UHFFFAOYSA-N
XLogP2.56
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732620
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-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62345020
N-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788544

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine (CID 66408734) is N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine is c1cc(CNc2ccc3c(c2)CCO3)c[nH]1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is UTYDWDOVHGIRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-13-11(4-6-16-13)7-12(1)15-9-10-3-5-14-8-10/h1-3,5,7-8,14-15H,4,6,9H2.
What are the key properties of N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 214.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 66408734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).