N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine

C18H22N2O — CID 105075463

IUPACN-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O/c1-2-9-19-12-16-8-10-20-13-18(16)21-17-7-6-14-4-3-5-15(14)11-17/h6-8,10-11,13,19H,2-5,9,12H2,1H3
InChIKeySSACVENTVSDICQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.86
Rot. Bonds6

About N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine

N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105075463) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105075463
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O/c1-2-9-19-12-16-8-10-20-13-18(16)21-17-7-6-14-4-3-5-15(14)11-17/h6-8,10-11,13,19H,2-5,9,12H2,1H3
InChIKeySSACVENTVSDICQ-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.86
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

N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methyl]ethanamine
CID 81250662
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075176
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81255357
N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methyl]ethanamine
CID 63552028
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
CID 105063370
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[[3-(4-bromo-2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075633
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine (CID 105075463) is N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is SSACVENTVSDICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-9-19-12-16-8-10-20-13-18(16)21-17-7-6-14-4-3-5-15(14)11-17/h6-8,10-11,13,19H,2-5,9,12H2,1H3.
What are the key properties of N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 282.39 g/mol, XLogP of 3.86, 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-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105075463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).