3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine

C16H20N2O — CID 43208035

IUPAC3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESc1coc(CNCCCN2CCc3ccccc32)c1
InChIInChI=1S/C16H20N2O/c1-2-7-16-14(5-1)8-11-18(16)10-4-9-17-13-15-6-3-12-19-15/h1-3,5-7,12,17H,4,8-11,13H2
InChIKeyHEDDEMFQAMGBOY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.82
Rot. Bonds6

About 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine

3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine (PubChem CID 43208035) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
PubChem CID43208035
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
SMILESc1coc(CNCCCN2CCc3ccccc32)c1
InChIInChI=1S/C16H20N2O/c1-2-7-16-14(5-1)8-11-18(16)10-4-9-17-13-15-6-3-12-19-15/h1-3,5-7,12,17H,4,8-11,13H2
InChIKeyHEDDEMFQAMGBOY-UHFFFAOYSA-N
XLogP2.82
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 29033925
1-(furan-2-ylmethyl)-2,3-dihydroindole
CID 14884168
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 29275975
N-[(5-bromothiophen-2-yl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 43100076
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
N-(furan-2-ylmethyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63504153
3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43645009
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine (CID 43208035) is 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine is c1coc(CNCCCN2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
The InChIKey is HEDDEMFQAMGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-7-16-14(5-1)8-11-18(16)10-4-9-17-13-15-6-3-12-19-15/h1-3,5-7,12,17H,4,8-11,13H2.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine?
3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 43208035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).