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

C17H22N2O — CID 62423399

IUPACN-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN1CCc2ccccc21
InChIInChI=1S/C17H22N2O/c1-2-9-18-12-17-15(8-11-20-17)13-19-10-7-14-5-3-4-6-16(14)19/h3-6,8,11,18H,2,7,9-10,12-13H2,1H3
InChIKeyCLLAPMZSKDIYJD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.34
Rot. Bonds6

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

N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62423399) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62423399
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN1CCc2ccccc21
InChIInChI=1S/C17H22N2O/c1-2-9-18-12-17-15(8-11-20-17)13-19-10-7-14-5-3-4-6-16(14)19/h3-6,8,11,18H,2,7,9-10,12-13H2,1H3
InChIKeyCLLAPMZSKDIYJD-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62425183
N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62425596
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
N-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 62424247
N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 83061390
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 63978913
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-[[2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 102745997
N-[[3-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 107456302
1-(furan-2-ylmethyl)-2,3-dihydroindole
CID 14884168
3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43208035

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine (CID 62423399) is N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1CN1CCc2ccccc21.
What is the InChIKey of N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is CLLAPMZSKDIYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-9-18-12-17-15(8-11-20-17)13-19-10-7-14-5-3-4-6-16(14)19/h3-6,8,11,18H,2,7,9-10,12-13H2,1H3.
What are the key properties of N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62423399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).