N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine

C19H24N2O — CID 46996683

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCc1ccnc(CC(C)N(C)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H24N2O/c1-14-6-8-20-18(10-14)11-15(2)21(3)13-16-4-5-19-17(12-16)7-9-22-19/h4-6,8,10,12,15H,7,9,11,13H2,1-3H3
InChIKeyIDOQHOFAEXJVPK-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.39
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (PubChem CID 46996683) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
PubChem CID46996683
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
SMILESCc1ccnc(CC(C)N(C)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H24N2O/c1-14-6-8-20-18(10-14)11-15(2)21(3)13-16-4-5-19-17(12-16)7-9-22-19/h4-6,8,10,12,15H,7,9,11,13H2,1-3H3
InChIKeyIDOQHOFAEXJVPK-UHFFFAOYSA-N
XLogP3.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine with MolForge

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Related Compounds

(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
3-(4-Methoxy-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480238
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenethyl-pyridine
CID 44371959
(6S,10bR)-9-(3-(piperidin-1-yl)propoxy)-6-(pyridin-2-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44441071
US10155760, Example 126
CID 118419759
US10155760, Example 45
CID 118419778
US10155760, Example 36
CID 118420147
US10155760, Example 37
CID 118420200
US10155760, Example 43
CID 118420203

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine (CID 46996683) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is Cc1ccnc(CC(C)N(C)Cc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
The InChIKey is IDOQHOFAEXJVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-6-8-20-18(10-14)11-15(2)21(3)13-16-4-5-19-17(12-16)7-9-22-19/h4-6,8,10,12,15H,7,9,11,13H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine has a molecular weight of 296.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 46996683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).