N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine

C18H20N2O — CID 62097571

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCN1CCc2cc(CNc3ccc4c(c3)CCO4)ccc21
InChIInChI=1S/C18H20N2O/c1-20-8-6-14-10-13(2-4-17(14)20)12-19-16-3-5-18-15(11-16)7-9-21-18/h2-5,10-11,19H,6-9,12H2,1H3
InChIKeyKKMFFXDNTVCIMB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.23
Rot. Bonds3

About N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 62097571) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID62097571
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCN1CCc2cc(CNc3ccc4c(c3)CCO4)ccc21
InChIInChI=1S/C18H20N2O/c1-20-8-6-14-10-13(2-4-17(14)20)12-19-16-3-5-18-15(11-16)7-9-21-18/h2-5,10-11,19H,6-9,12H2,1H3
InChIKeyKKMFFXDNTVCIMB-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.23
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-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2,3-dihydroindol-5-amine
CID 82538656
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804098
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094953
2-N,2-N-dimethyl-5-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridine-2,5-diamine
CID 62095305
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 66408734

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 62097571) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine is CN1CCc2cc(CNc3ccc4c(c3)CCO4)ccc21.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is KKMFFXDNTVCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-8-6-14-10-13(2-4-17(14)20)12-19-16-3-5-18-15(11-16)7-9-21-18/h2-5,10-11,19H,6-9,12H2,1H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 280.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 62097571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).