4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine

C19H25N3O2 — CID 38054136

IUPAC4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCOc1cc2c(cc1CNCc1ccnc(N(C)C)c1)O[C@H](C)C2
InChIInChI=1S/C19H25N3O2/c1-13-7-15-9-17(23-4)16(10-18(15)24-13)12-20-11-14-5-6-21-19(8-14)22(2)3/h5-6,8-10,13,20H,7,11-12H2,1-4H3/t13-/m1/s1
InChIKeyYZFNAWJNCROFHE-CYBMUJFWSA-N
MW327.43 g/mol
LogP2.77
Rot. Bonds6

About 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine

4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 38054136) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID38054136
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCOc1cc2c(cc1CNCc1ccnc(N(C)C)c1)O[C@H](C)C2
InChIInChI=1S/C19H25N3O2/c1-13-7-15-9-17(23-4)16(10-18(15)24-13)12-20-11-14-5-6-21-19(8-14)22(2)3/h5-6,8-10,13,20H,7,11-12H2,1-4H3/t13-/m1/s1
InChIKeyYZFNAWJNCROFHE-CYBMUJFWSA-N
XLogP2.77
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-pyrazol-1-yl-4-pyridinyl)methanamine
CID 38050159
1-(3-butoxy-4-methoxyphenyl)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]methanamine
CID 112823345
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103744587
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
CID 34539767
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 78942119
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pent-3-yn-1-amine
CID 116643112
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-N,N-dimethylpropanamide
CID 78989547
2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoic acid
CID 115349492

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (CID 38054136) is 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is COc1cc2c(cc1CNCc1ccnc(N(C)C)c1)O[C@H](C)C2.
What is the InChIKey of 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is YZFNAWJNCROFHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-7-15-9-17(23-4)16(10-18(15)24-13)12-20-11-14-5-6-21-19(8-14)22(2)3/h5-6,8-10,13,20H,7,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 327.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 38054136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).