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

C22H25NO — CID 23373803

IUPACN-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
SMILESC1=Cc2cccc(OCCCCNC3Cc4ccccc4C3)c2C1
InChIInChI=1S/C22H25NO/c1-2-8-19-16-20(15-18(19)7-1)23-13-3-4-14-24-22-12-6-10-17-9-5-11-21(17)22/h1-2,5-10,12,20,23H,3-4,11,13-16H2
InChIKeyMHMZQSSFIPYRGQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.17
Rot. Bonds7

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

N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 23373803) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID23373803
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
SMILESC1=Cc2cccc(OCCCCNC3Cc4ccccc4C3)c2C1
InChIInChI=1S/C22H25NO/c1-2-8-19-16-20(15-18(19)7-1)23-13-3-4-14-24-22-12-6-10-17-9-5-11-21(17)22/h1-2,5-10,12,20,23H,3-4,11,13-16H2
InChIKeyMHMZQSSFIPYRGQ-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4-dihydro-2H-chromen-8-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 23373789
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-[4-(2-methoxyethoxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 115715426
N-[2-(1,3-benzodioxol-4-yloxy)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 23373810
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
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
CID 62451053

Frequently Asked Questions

What is the IUPAC name of N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine (CID 23373803) is N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine is C1=Cc2cccc(OCCCCNC3Cc4ccccc4C3)c2C1.
What is the InChIKey of N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is MHMZQSSFIPYRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-2-8-19-16-20(15-18(19)7-1)23-13-3-4-14-24-22-12-6-10-17-9-5-11-21(17)22/h1-2,5-10,12,20,23H,3-4,11,13-16H2.
What are the key properties of N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine?
N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 319.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3H-inden-4-yloxy)butyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 23373803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).