N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine

C22H27NO2 — CID 23373789

IUPACN-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCCCOc1cccc3c1OCCC3)C2
InChIInChI=1S/C22H27NO2/c1-2-8-19-16-20(15-18(19)7-1)23-12-3-4-13-24-21-11-5-9-17-10-6-14-25-22(17)21/h1-2,5,7-9,11,20,23H,3-4,6,10,12-16H2
InChIKeyNRRKUVWAITZHSE-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.93
Rot. Bonds7

About N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine

N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 23373789) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID23373789
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc2c(c1)CC(NCCCCOc1cccc3c1OCCC3)C2
InChIInChI=1S/C22H27NO2/c1-2-8-19-16-20(15-18(19)7-1)23-12-3-4-13-24-21-11-5-9-17-10-6-14-25-22(17)21/h1-2,5,7-9,11,20,23H,3-4,6,10,12-16H2
InChIKeyNRRKUVWAITZHSE-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-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-(1,3-benzodioxol-4-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 23373762
N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 15295831
N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 23373810
N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 23373803
N-[3-(3,4-dihydro-2H-chromen-8-ylsulfanyloxy)propyl]cyclohexanamine
CID 57145439
N-[4-(2-methoxyethoxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 115715426
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-nonyl-2,3-dihydro-1H-inden-2-amine
CID 107851988
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 43512854
3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol
CID 3030975
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine (CID 23373789) is N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine is c1ccc2c(c1)CC(NCCCCOc1cccc3c1OCCC3)C2.
What is the InChIKey of N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NRRKUVWAITZHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-8-19-16-20(15-18(19)7-1)23-12-3-4-13-24-21-11-5-9-17-10-6-14-25-22(17)21/h1-2,5,7-9,11,20,23H,3-4,6,10,12-16H2.
What are the key properties of N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine?
N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 337.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 23373789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).