N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine

C15H18N2O — CID 80567501

IUPACN-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
SMILESc1coc(CCNCC2Cc3ccccc3N2)c1
InChIInChI=1S/C15H18N2O/c1-2-6-15-12(4-1)10-13(17-15)11-16-8-7-14-5-3-9-18-14/h1-6,9,13,16-17H,7-8,10-11H2
InChIKeyCINWRGWSAPYGLI-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.45
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine

N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine (PubChem CID 80567501) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
PubChem CID80567501
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
SMILESc1coc(CCNCC2Cc3ccccc3N2)c1
InChIInChI=1S/C15H18N2O/c1-2-6-15-12(4-1)10-13(17-15)11-16-8-7-14-5-3-9-18-14/h1-6,9,13,16-17H,7-8,10-11H2
InChIKeyCINWRGWSAPYGLI-UHFFFAOYSA-N
XLogP2.45
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 80567600
N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
CID 115568741
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 54954739
N-[4-(furan-2-yl)butan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76896522
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine
CID 107069094
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123
N-(1,3-dioxan-4-ylmethyl)-2-(furan-2-yl)ethanamine
CID 81102042
2-(azetidin-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 116679692
1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 80567468
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine
CID 112737176
1-(2,3-dihydro-1H-inden-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 103675715

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine (CID 80567501) is N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine is c1coc(CCNCC2Cc3ccccc3N2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine?
The InChIKey is CINWRGWSAPYGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-6-15-12(4-1)10-13(17-15)11-16-8-7-14-5-3-9-18-14/h1-6,9,13,16-17H,7-8,10-11H2.
What are the key properties of N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine?
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 80567501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).