3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine

C17H22N2O — CID 29033925

IUPAC3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCN2CCc3ccccc32)o1
InChIInChI=1S/C17H22N2O/c1-14-7-8-16(20-14)13-18-10-4-11-19-12-9-15-5-2-3-6-17(15)19/h2-3,5-8,18H,4,9-13H2,1H3
InChIKeyVJQBKVJNKYYTJX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.13
Rot. Bonds6

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

3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 29033925) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID29033925
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCN2CCc3ccccc32)o1
InChIInChI=1S/C17H22N2O/c1-14-7-8-16(20-14)13-18-10-4-11-19-12-9-15-5-2-3-6-17(15)19/h2-3,5-8,18H,4,9-13H2,1H3
InChIKeyVJQBKVJNKYYTJX-UHFFFAOYSA-N
XLogP3.13
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.13
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-(furan-2-ylmethyl)propan-1-amine
CID 43208035
3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43645009
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
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
3-(2,3-dihydroindol-1-yl)-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 82833789
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
1-butyl-2,3-dihydroindole
CID 4167209
N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62425596
N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441271
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol
CID 81412714

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (CID 29033925) is 3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is Cc1ccc(CNCCCN2CCc3ccccc32)o1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is VJQBKVJNKYYTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-7-8-16(20-14)13-18-10-4-11-19-12-9-15-5-2-3-6-17(15)19/h2-3,5-8,18H,4,9-13H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.13, 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-[(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 29033925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).