1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine

C20H25N3O2 — CID 94531051

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine
SMILESC[C@@H]1CN(c2ccc(CNCc3ccc4c(c3)CCO4)cn2)CCO1
InChIInChI=1S/C20H25N3O2/c1-15-14-23(7-9-24-15)20-5-3-17(13-22-20)12-21-11-16-2-4-19-18(10-16)6-8-25-19/h2-5,10,13,15,21H,6-9,11-12,14H2,1H3/t15-/m1/s1
InChIKeyCPGKTUXJPIXPME-OAHLLOKOSA-N
MW339.44 g/mol
LogP2.53
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 94531051) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine
PubChem CID94531051
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine
SMILESC[C@@H]1CN(c2ccc(CNCc3ccc4c(c3)CCO4)cn2)CCO1
InChIInChI=1S/C20H25N3O2/c1-15-14-23(7-9-24-15)20-5-3-17(13-22-20)12-21-11-16-2-4-19-18(10-16)6-8-25-19/h2-5,10,13,15,21H,6-9,11-12,14H2,1H3/t15-/m1/s1
InChIKeyCPGKTUXJPIXPME-OAHLLOKOSA-N
XLogP2.53
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine with MolForge

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Related Compounds

3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030335
1-[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]methanamine
CID 48947967
5-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120969668
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969669
2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
CID 133338770
N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-1,3-benzoxazol-2-amine
CID 94424980
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
1-[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 124862439
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
7-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 166239118
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111846633

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine (CID 94531051) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine is C[C@@H]1CN(c2ccc(CNCc3ccc4c(c3)CCO4)cn2)CCO1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is CPGKTUXJPIXPME-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-14-23(7-9-24-15)20-5-3-17(13-22-20)12-21-11-16-2-4-19-18(10-16)6-8-25-19/h2-5,10,13,15,21H,6-9,11-12,14H2,1H3/t15-/m1/s1.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 339.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 94531051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).