N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine

C18H22N2O — CID 81255357

IUPACN-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O/c1-3-19-11-16-12-20-13(2)9-18(16)21-17-8-7-14-5-4-6-15(14)10-17/h7-10,12,19H,3-6,11H2,1-2H3
InChIKeyXVBQOFQECRWANQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.78
Rot. Bonds5

About N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine

N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 81255357) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID81255357
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2O/c1-3-19-11-16-12-20-13(2)9-18(16)21-17-8-7-14-5-4-6-15(14)10-17/h7-10,12,19H,3-6,11H2,1-2H3
InChIKeyXVBQOFQECRWANQ-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methyl]ethanamine
CID 81250662
N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160
N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 83234578
N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methyl]ethanamine
CID 63552028
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine
CID 62323863
N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
CID 81152008
N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075463
N-[[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]methyl]ethanamine
CID 62321397
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[[6-(2,3-dihydro-1H-inden-5-yloxy)-2-pyridinyl]methyl]ethanamine
CID 62322027
N-[[6-methyl-4-(2,3,5-trimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81253885

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine (CID 81255357) is N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is XVBQOFQECRWANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-19-11-16-12-20-13(2)9-18(16)21-17-8-7-14-5-4-6-15(14)10-17/h7-10,12,19H,3-6,11H2,1-2H3.
What are the key properties of N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine?
N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1H-inden-5-yloxy)-6-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81255357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).